11-methoxy-9-cycloneren-3,7-diol (CHEBI:208303)

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CHEBI:208303 - 11-methoxy-9-cycloneren-3,7-diol

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ChEBI ID	CHEBI:208303
ChEBI Name	11-methoxy-9-cycloneren-3,7-diol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H30O3
Net Charge	0
Average Mass	270.413
Monoisotopic Mass	270.21949
SMILES	COC(C)(C)/C=C/C[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C
InChI	InChI=1S/C16H30O3/c1-12-13(8-11-15(12,4)17)16(5,18)10-7-9-14(2,3)19-6/h7,9,12-13,17-18H,8,10-11H2,1-6H3/b9-7+/t12-,13+,15+,16+/m0/s1
InChIKey	MXWAVHJWKPMOSZ-IFOVSUQLSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (30351930)

ChEBI Ontology

Outgoing Relation(s)
	11-methoxy-9-cycloneren-3,7-diol (CHEBI:208303) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1R,2S,3R)-3-[(E,2R)-2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl]-1,2-dimethylcyclopentan-1-ol

Manual Xrefs	Databases
70962811	ChemSpider