Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000078487	Gold	Mycophenolic&(Mycophenolate)
CCMSLIB00000079956	Gold	MLS001074701-01!(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic&acid
CCMSLIB00000579388	Gold	0445_Mycophenolic&acid
CCMSLIB00000579712	Gold	Mycophenolic&acid
CCMSLIB00000478521	Silver	Mycophenolic&acid_130117
CCMSLIB00000005126	Bronze	Mycophenolic&acid
CCMSLIB00000005127	Bronze	Mycophenolic&acid
CCMSLIB00000204841	Bronze	Massbank:BML00241&Mycophenolic&acid
CCMSLIB00000204846	Bronze	Massbank:BML00248&Mycophenolic&acid
CCMSLIB00000204851	Bronze	Massbank:BML00255&Mycophenolic&acid
CCMSLIB00000211241	Bronze	Massbank:EA280801&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211243	Bronze	Massbank:EA280802&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211245	Bronze	Massbank:EA280803&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211247	Bronze	Massbank:EA280804&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211249	Bronze	Massbank:EA280805&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211251	Bronze	Massbank:EA280806&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211253	Bronze	Massbank:EA280807&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211256	Bronze	Massbank:EA280808&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211258	Bronze	Massbank:EA280809&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211260	Bronze	Massbank:EA280810&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211262	Bronze	Massbank:EA280811&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211264	Bronze	Massbank:EA280812&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211266	Bronze	Massbank:EA280813&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000211268	Bronze	Massbank:EA280814&Mycophenolic&acid\|&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00000841899	Bronze	MassbankEU:SM857701&Mycophenolic&acid\|(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic&acid
CCMSLIB00000841900	Bronze	MassbankEU:SM857754&Mycophenolic&acid\|(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic&acid
CCMSLIB00000564660	Bronze	MoNA:509685&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564664	Bronze	MoNA:508762&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564665	Bronze	MoNA:508675&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564707	Bronze	MoNA:509662&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564773	Bronze	MoNA:508832&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564777	Bronze	MoNA:509334&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564799	Bronze	MoNA:509609&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564816	Bronze	MoNA:509583&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000564822	Bronze	MoNA:528944&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000565071	Bronze	MoNA:2748065&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000565073	Bronze	MoNA:2747578&Mycophenolic&(Mycophenolate)&[M+H]
CCMSLIB00000569294	Bronze	MoNA:2846622&Mycophenolic&acid_130117&M+H
CCMSLIB00000570358	Bronze	MoNA:1056529&Mycophenolic&acid
CCMSLIB00000570704	Bronze	MoNA:528944&MPA
CCMSLIB00000571821	Bronze	MoNA:509583&(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic&acid
CCMSLIB00004686056	Bronze	Mycophenolic&Acid
CCMSLIB00004686057	Bronze	Mycophenolic&Acid
CCMSLIB00004686058	Bronze	Mycophenolic&Acid
CCMSLIB00004686059	Bronze	Mycophenolic&Acid
CCMSLIB00004695855	Bronze	Mycophenolic&Acid
CCMSLIB00004695856	Bronze	Mycophenolic&Acid
CCMSLIB00004695857	Bronze	Mycophenolic&Acid
CCMSLIB00004695858	Bronze	Mycophenolic&Acid
CCMSLIB00004695859	Bronze	Mycophenolic&Acid
CCMSLIB00004695860	Bronze	Mycophenolic&Acid
CCMSLIB00004695861	Bronze	Mycophenolic&Acid
CCMSLIB00004695862	Bronze	Mycophenolic&Acid
CCMSLIB00004695864	Bronze	Mycophenolic&Acid
CCMSLIB00004695865	Bronze	Mycophenolic&Acid
CCMSLIB00004695866	Bronze	Mycophenolic&Acid
CCMSLIB00004695867	Bronze	Mycophenolic&Acid
CCMSLIB00004695868	Bronze	Mycophenolic&Acid
CCMSLIB00004695869	Bronze	Mycophenolic&Acid
CCMSLIB00004702356	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702357	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702358	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702359	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702360	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702361	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702362	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702363	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702364	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702365	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702366	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702367	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702368	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702369	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00004702370	Bronze	MYCOPHENOLIC&ACID
CCMSLIB00000005125	Bronze	Mycophenolic&acid&
CCMSLIB00004695863	Bronze	Mycophenolic&Acid
CCMSLIB00005727299	Gold	3
CCMSLIB00005727593	Gold	3
CCMSLIB00005727817	Gold	3
CCMSLIB00005727672	Gold	3
CCMSLIB00005727222	Gold	3
CCMSLIB00005727384	Gold	3
CCMSLIB00005727659	Gold	3
CCMSLIB00005727145	Gold	3
CCMSLIB00005727623	Gold	3
CCMSLIB00005727929	Gold	3
CCMSLIB00005772716	Gold	3
CCMSLIB00005776863	Gold	3
CCMSLIB00005775082	Gold	3
CCMSLIB00005774693	Gold	3
CCMSLIB00005772491	Gold	3
CCMSLIB00005774631	Gold	3
CCMSLIB00005772016	Gold	3
CCMSLIB00005771729	Gold	3
CCMSLIB00005771821	Gold	3
CCMSLIB00005733275	Gold	3
CCMSLIB00005732929	Gold	3
CCMSLIB00005731357	Gold	3
CCMSLIB00005730111	Gold	3
CCMSLIB00005732821	Gold	3
CCMSLIB00005736467	Gold	3
CCMSLIB00005735602	Gold	3
CCMSLIB00005733861	Gold	3
CCMSLIB00005733397	Gold	3
CCMSLIB00005734894	Gold	3
CCMSLIB00005731050	Gold	3
CCMSLIB00005730490	Gold	3
CCMSLIB00005732144	Gold	3
CCMSLIB00005730363	Gold	3
CCMSLIB00005778148	Gold	3
CCMSLIB00005778212	Gold	3
CCMSLIB00005778312	Gold	3
CCMSLIB00005777982	Gold	3
CCMSLIB00005778133	Gold	3
CCMSLIB00005726647	Gold	3
CCMSLIB00005726430	Gold	3
CCMSLIB00005726557	Gold	3
CCMSLIB00005726491	Gold	3
CCMSLIB00005726135	Gold	3
CCMSLIB00005726866	Gold	3
CCMSLIB00005726616	Gold	3
CCMSLIB00005726869	Gold	3
CCMSLIB00005725541	Gold	3
CCMSLIB00012113668	Gold	4
CCMSLIB00012113669	Gold	4
CCMSLIB00012113667	Gold	4
CCMSLIB00012113670	Gold	4
CCMSLIB00012113671	Gold	4
CCMSLIB00012113672	Gold	4
CCMSLIB00012113673	Gold	4
CCMSLIB00012113674	Gold	4
CCMSLIB00012113666	Gold	4
CCMSLIB00009953465	Gold	4
CCMSLIB00009953466	Gold	4
CCMSLIB00009953464	Gold	4
CCMSLIB00009953467	Gold	4
CCMSLIB00009953468	Gold	4
CCMSLIB00009953469	Gold	4
CCMSLIB00009953470	Gold	4
CCMSLIB00009953471	Gold	4
CCMSLIB00009953463	Gold	4
CCMSLIB00012114034	Gold	4
CCMSLIB00009953831	Gold	4
CCMSLIB00012115075	Gold	4
CCMSLIB00009954872	Gold	4
CCMSLIB00010106501	Gold	3
CCMSLIB00010106502	Gold	3
CCMSLIB00010106503	Gold	3
CCMSLIB00010106504	Gold	3
CCMSLIB00010106505	Gold	3
CCMSLIB00010106506	Gold	3
CCMSLIB00010106507	Gold	3
CCMSLIB00010117839	Gold	3
CCMSLIB00010117840	Gold	3
CCMSLIB00010117841	Gold	3
CCMSLIB00010117842	Gold	3
CCMSLIB00010117843	Gold	3
CCMSLIB00010117844	Gold	3
CCMSLIB00010117845	Gold	3

COMPOUND NPA015757

STRUCTURE

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA015757
CLUSTER ID	792
NODE ID	687
NAME	Mycophenolic acid
FORMULA	C17H20O6
MOLECULAR WEIGHT (Da)	320.3410
ACCURATE MASS (Da)	320.1260
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	HPNSFSBZBAHARI-RUDMXATFSA-N
InChI	InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
SMILES	CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Birkinshaw, J h; Raistrick, H; Ross, D j Studies in the biochemistry of micro-organisms. 86. The molecular constitution of mycophenolic acid, a metabolic product of Penicillium Brevi-compactum Dierckx. Part III. Further observations on the structural formula for mycophenolic acid Biochemical Journal 1952 50 (5) 630-634.
DOI	10.1042/bj0500630	PMID	14934668

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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Compounds

COMPOUND NPA015757

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER