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Compounds

COMPOUND NPA007300

STRUCTURE

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PROPERTIES

NPAID	NPA007300
CLUSTER ID	2164
NODE ID	163
NAME	9Alpha,11Alpha-Dihydroxyergosta-4,6,8(14),22-Tetraen-3-One
FORMULA	C28H40O3
MOLECULAR WEIGHT (Da)	424.6250
ACCURATE MASS (Da)	424.2977
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown-bacterium
ORIGIN SPECIES	sBNa008
InChIKey	GBAGTCNHJJTJIL-YVVZYAQMSA-N
InChI	InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)22-11-12-23-24-10-9-20-15-21(29)13-14-27(20,6)28(24,31)25(30)16-26(22,23)5/h7-10,15,17-19,22,25,30-31H,11-14,16H2,1-6H3/b8-7+/t18-,19+,22+,25+,26+,27-,28-/m0/s1
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@]3([C@@H](C[C@]12C)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Gawas, Dnyaneshwar; Garcia, Ronald; Huch, Volker; Müller, Rolf A Highly Conjugated Dihydroxylated C28 Steroid from a Myxobacterium Journal of Natural Products 2011 74 (5) 1281-1283.
DOI	10.1021/np100682c	PMID	21513291

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Genus	Unknown-bacterium	LPSN	-

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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