Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000478080	Silver	Pseurotin&A_120184
CCMSLIB00004688738	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004688739	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711503	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711504	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711505	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711506	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711507	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711508	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711509	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711510	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711511	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711512	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711513	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711514	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711515	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711516	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711517	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00000853898	Gold	1!CCMSLIB00000853900
CCMSLIB00012131091	Gold	4
CCMSLIB00009970888	Gold	4
CCMSLIB00012132678	Gold	4
CCMSLIB00012132679	Gold	4
CCMSLIB00012132680	Gold	4
CCMSLIB00012132677	Gold	4
CCMSLIB00009972475	Gold	4
CCMSLIB00009972476	Gold	4
CCMSLIB00009972477	Gold	4
CCMSLIB00009972474	Gold	4

COMPOUND NPA010369

STRUCTURE

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA010369
CLUSTER ID	1770
NODE ID	1435
NAME	Pseurotin A3
FORMULA	C22H25NO8
MOLECULAR WEIGHT (Da)	431.4410
ACCURATE MASS (Da)	431.1580
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	terreus
InChIKey	SLYDIPAXCVVRNY-HLWOSVFQSA-N
InChI	InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15+,19-,21-,22-/m1/s1
SMILES	CC/C=C\[C@H]([C@@H](C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Lan-Lan; Cao, Fei; Yang, Qin; Li, Wan; Tian, Sha-Sha; Zhu, Hua-Jie; Zhao, Yan-Yan; Yang, Xun Experimental and theoretical study of stereochemistry for new pseurotin A3with an unusual hetero-spirocyclic system Tetrahedron 2016 72 (45) 7194-7199.
DOI	10.1016/j.tet.2016.09.053	PMID	-

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 NPA010369

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER