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Compounds

COMPOUND NPA014792

STRUCTURE

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PROPERTIES

NPAID	NPA014792
CLUSTER ID	69
NODE ID	64
NAME	(5α,6β,15β,22E)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one
FORMULA	C30H48O4
MOLECULAR WEIGHT (Da)	472.7100
ACCURATE MASS (Da)	472.3553
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phomopsis
ORIGIN SPECIES	sp.
InChIKey	FPESVMYWFTWXKH-BLMRKQJBSA-N
InChI	InChI=1S/C30H48O4/c1-8-34-26-15-22-23(29(7)14-11-21(31)17-30(26,29)33)12-13-28(6)24(16-25(32)27(22)28)20(5)10-9-19(4)18(2)3/h9-10,15,18-20,23-27,32-33H,8,11-14,16-17H2,1-7H3/b10-9+/t19-,20+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
SMILES	CCO[C@@H]1C=C2[C@H](CC[C@]3([C@H]2[C@@H](C[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)O)C)[C@@]4([C@@]1(CC(=O)CC4)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Wu, Shao-Hua; Huang, Rong; Miao, Cui-Ping; Chen, You-Wei Two new steroids from an endophytic fungus Phomopsis sp Chemistry and Biodiversity 2013 10 (7) 1276-1283.
DOI	10.1002/cbdv.201200415	PMID	23847072

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Phomopsis	MycoBank	34399

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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