CAY10429 (CHEBI:197013)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	CAY10429

ChEBI ID	CHEBI:197013

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H30O2

Net Charge

Average Mass

314.469

Monoisotopic Mass

314.22458

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1

InChIKey

YWEZXUNAYVCODW-RBUKOAKNSA-N

SMILES

OC=1C([C@]2([C@@H](CCC(=C2)C)C(C)=C)[H])=C(CCCCC)C=C(O)C1

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study

ChEBI Ontology
Outgoing	CAY10429 (CHEBI:197013) is a monoterpenoid (CHEBI:25409)

IUPAC Name

4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol