Verticinol B (CHEBI:227010)

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CHEBI:227010 - Verticinol B

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ChEBI ID	CHEBI:227010
ChEBI Name	Verticinol B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H30O4
Net Charge	0
Average Mass	298.423
Monoisotopic Mass	298.21441
SMILES	CC(=O)OC(CCC(C)[C@@H]1C=C[C@@](C)(O)CC1)C(C)(C)O
InChI	InChI=1S/C17H30O4/c1-12(14-8-10-17(5,20)11-9-14)6-7-15(16(3,4)19)21-13(2)18/h8,10,12,14-15,19-20H,6-7,9,11H2,1-5H3/t12?,14-,15?,17-/m1/s1
InChIKey	MRRPERXTYAKYME-LXDKRTHCSA-N

Species of Metabolite	Component	Source	Comments
[Verticillium tenerum (ncbitaxon:223382)	-	PubMed (20433060)

ChEBI Ontology

Outgoing Relation(s)
	Verticinol B (CHEBI:227010) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
[2-hydroxy-6-[(1R,4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylheptan-3-yl] acetate

Manual Xrefs	Databases
27025367	ChemSpider