Rhombitriol (CHEBI:217334)

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CHEBI:217334 - Rhombitriol

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ChEBI ID	CHEBI:217334
ChEBI Name	Rhombitriol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26O3
Net Charge	0
Average Mass	254.370
Monoisotopic Mass	254.18819
SMILES	C=C1CCC[C@@]2(C)C[C@H](O)[C@H](C(C)(C)O)C[C@@]12O
InChI	InChI=1S/C15H26O3/c1-10-6-5-7-14(4)9-12(16)11(13(2,3)17)8-15(10,14)18/h11-12,16-18H,1,5-9H2,2-4H3/t11-,12+,14+,15-/m1/s1
InChIKey	XGPONYNKAOFSGR-PAPYEOQZSA-N

Species of Metabolite	Component	Source	Comments
Beltrania rhombica (ncbitaxon:638364)	-	PubMed (15684527)

ChEBI Ontology

Outgoing Relation(s)
	Rhombitriol (CHEBI:217334) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name
(2S,3R,4aR,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalene-2,4a-diol

Manual Xrefs	Databases
9417290	ChemSpider