Photeroid B (CHEBI:217653)

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CHEBI:217653 - Photeroid B

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ChEBI ID	CHEBI:217653
ChEBI Name	Photeroid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H30O2
Net Charge	0
Average Mass	338.491
Monoisotopic Mass	338.22458
SMILES	C=C(C)[C@H]1CC=C(C)[C@H]2C[C@H]3Cc4c(C)cc(O)cc4O[C@@]3(C)C[C@H]12
InChI	InChI=1S/C23H30O2/c1-13(2)18-7-6-14(3)19-9-16-10-20-15(4)8-17(24)11-22(20)25-23(16,5)12-21(18)19/h6,8,11,16,18-19,21,24H,1,7,9-10,12H2,2-5H3/t16-,18+,19+,21+,23-/m0/s1
InChIKey	PGRGQPDRHGOZHE-KQNCMUCESA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Photeroid B (CHEBI:217653) is a sesquiterpenoid (CHEBI:26658)

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

Manual Xrefs	Databases
81363741	ChemSpider