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Compounds

COMPOUND NPA019940

STRUCTURE

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PROPERTIES

NPAID	NPA019940
CLUSTER ID	6354
NODE ID	4401
NAME	3β,4α‐dihydroxy‐26‐methoxyergosta‐7,24(28)‐dien‐6‐one
FORMULA	C29H46O4
MOLECULAR WEIGHT (Da)	458.6830
ACCURATE MASS (Da)	458.3396
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	flavus
InChIKey	XCLVYKBMNARCLH-YARWUZRLSA-N
InChI	InChI=1S/C29H46O4/c1-17(19(3)16-33-6)7-8-18(2)21-9-10-22-20-15-25(31)26-27(32)24(30)12-14-29(26,5)23(20)11-13-28(21,22)4/h15,18-19,21-24,26-27,30,32H,1,7-14,16H2,2-6H3/t18-,19?,21-,22+,23+,24+,26+,27-,28-,29-/m1/s1
SMILES	C[C@H](CCC(=C)C(C)COC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H]([C@H]4O)O)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Qiao, Ming-Feng; Ji, Nai-Yun; Miao, Feng-Ping; Yin, Xiu-Li Steroids and an oxylipin from an algicolous isolate of Aspergillus flavus Magnetic Resonance in Chemistry 2011 49 (6) 366-369.
DOI	10.1002/mrc.2748	PMID	21452344

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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