Photeroid A (CHEBI:217647)

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CHEBI:217647 - Photeroid A

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ChEBI ID	CHEBI:217647
ChEBI Name	Photeroid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O3
Net Charge	0
Average Mass	356.506
Monoisotopic Mass	356.23514
SMILES	CC1=CC[C@H](C(C)(C)O)[C@H]2C[C@]3(C)Oc4cc(O)cc(C)c4C[C@@H]3C[C@H]12
InChI	InChI=1S/C23H32O3/c1-13-6-7-20(22(3,4)25)19-12-23(5)15(9-17(13)19)10-18-14(2)8-16(24)11-21(18)26-23/h6,8,11,15,17,19-20,24-25H,7,9-10,12H2,1-5H3/t15-,17+,19-,20-,23-/m0/s1
InChIKey	FQRPCVBWBKOJQN-RVGDMOSWSA-N

Species of Metabolite	Component	Source	Comments
Phomopsis (ncbitaxon:34399)	-	PubMed (31916553)

ChEBI Ontology

Outgoing Relation(s)
	Photeroid A (CHEBI:217647) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(5aS,6aS,7S,10aS,11aS)-7-(2-hydroxypropan-2-yl)-1,5a,10-trimethyl-6,6a,7,8,10a,11,11a,12-octahydrobenzo[b]xanthen-3-ol

Manual Xrefs	Databases
81363740	ChemSpider