Stizophyllin (CHEBI:206647)

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CHEBI:206647 - Stizophyllin

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ChEBI ID	CHEBI:206647
ChEBI Name	Stizophyllin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28O4
Net Charge	0
Average Mass	344.451
Monoisotopic Mass	344.19876
SMILES	CC(=O)C1=CC[C@H]2C3=CCC4=C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
InChI	InChI=1S/C21H28O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-19,23-25H,4,7,9-10H2,1-3H3/t15-,16-,17-,18-,19+,20-,21+/m0/s1
InChIKey	IWQKGRNFKYKJHS-SPKZCENISA-N

Species of Metabolite	Component	Source	Comments
Thelephora terrestris (ncbitaxon:56493)	-	PubMed (15744104)

ChEBI Ontology

Outgoing Relation(s)
	Stizophyllin (CHEBI:206647) is a 20-oxo steroid (CHEBI:36885)

IUPAC Name
1-[(2S,3S,9S,10R,12R,13S,14S)-2,3,12-trihydroxy-10,13-dimethyl-2,3,6,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Manual Xrefs	Databases
9557262	ChemSpider