Postinin B (CHEBI:211445)

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CHEBI:211445 - Postinin B

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ChEBI ID	CHEBI:211445
ChEBI Name	Postinin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26O3
Net Charge	0
Average Mass	254.370
Monoisotopic Mass	254.18819
SMILES	CC(C)[C@@H]1C[C@H](O)[C@@]2(CO)[C@@H]3CC[C@](C)(O)[C@H]2[C@@H]31
InChI	InChI=1S/C15H26O3/c1-8(2)9-6-11(17)15(7-16)10-4-5-14(3,18)13(15)12(9)10/h8-13,16-18H,4-7H2,1-3H3/t9-,10+,11-,12+,13+,14-,15+/m0/s1
InChIKey	BKMHRAKVPWZPND-KUBHYLHLSA-N

Species of Metabolite	Component	Source	Comments
Postiaspecies (ncbitaxon:2008437)	-	PubMed (24325287)

ChEBI Ontology

Outgoing Relation(s)
	Postinin B (CHEBI:211445) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol

Manual Xrefs	Databases
78441496	ChemSpider