Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000478084	Silver	Ergosterol&Peroxide_120246
CCMSLIB00004713693	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713694	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713695	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713696	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713697	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713698	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713699	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713700	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713701	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713702	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713703	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713704	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713705	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713706	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713707	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00000848042	Gold	1
CCMSLIB00012129803	Gold	4
CCMSLIB00012129808	Gold	4
CCMSLIB00012129802	Gold	4
CCMSLIB00012129806	Gold	4
CCMSLIB00012129810	Gold	4
CCMSLIB00012129805	Gold	4
CCMSLIB00012129801	Gold	4
CCMSLIB00012129804	Gold	4
CCMSLIB00012129807	Gold	4
CCMSLIB00012129809	Gold	4
CCMSLIB00009969600	Gold	4
CCMSLIB00009969605	Gold	4
CCMSLIB00009969599	Gold	4
CCMSLIB00009969603	Gold	4
CCMSLIB00009969607	Gold	4
CCMSLIB00009969602	Gold	4
CCMSLIB00009969598	Gold	4
CCMSLIB00009969601	Gold	4
CCMSLIB00009969604	Gold	4
CCMSLIB00009969606	Gold	4

COMPOUND NPA003521

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA003521
CLUSTER ID	70
NODE ID	65
NAME	5α,8α-epidioxyergosta-6,22-dien-3β-ol
FORMULA	C28H44O3
MOLECULAR WEIGHT (Da)	428.6570
ACCURATE MASS (Da)	428.3290
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Daedaleopsis
ORIGIN SPECIES	confragosa var. tricolor
InChIKey	VXOZCESVZIRHCJ-PHICIKCOSA-N
InChI	InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23?,24?,25+,26+,27+,28-/m0/s1
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C

ORIGINAL ISOLATION REFERENCE

CITATION	Roesecke, Joachim; Koenig, Wilfried A Constituents of the fungi Daedalea quercina and Daedaleopsis confragosa var. tricolor Phytochemistry 2000 54 (8) 757-762.
DOI	10.1016/s0031-9422(00)00130-8	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Polyporales	MycoBank	5303
Family	Polyporaceae	MycoBank	5317
Genus	Daedaleopsis	MycoBank	40432

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 NPA003521

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER