Phomodiol (CHEBI:215250)

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CHEBI:215250 - Phomodiol

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ChEBI ID	CHEBI:215250
ChEBI Name	Phomodiol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H26O3
Net Charge	0
Average Mass	266.381
Monoisotopic Mass	266.18819
SMILES	C[C@@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@]2(C)C(=O)C(O)CO)C1
InChI	InChI=1S/C16H26O3/c1-10-4-7-13-12(8-10)6-5-11(2)16(13,3)15(19)14(18)9-17/h5-6,10-14,17-18H,4,7-9H2,1-3H3/t10-,11+,12+,13+,14?,16+/m1/s1
InChIKey	DVHGMKCUXINIRR-DSDJHQIASA-N

Species of Metabolite	Component	Source	Comments
Phomopsisspecies (ncbitaxon:1715245)	-	DOI (10.1016/0040-4039(94)88068-9)

ChEBI Ontology

Outgoing Relation(s)
	Phomodiol (CHEBI:215250) is a monosaccharide (CHEBI:35381)

IUPAC Name
1-[(1S,2S,4aR,6R,8aS)-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-2,3-dihydroxypropan-1-one

Manual Xrefs	Databases
8145761	ChemSpider