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cannabigerol

PropertiesImage
MNX_IDMNXM103493 Image of MNXM103493
referencechebi:69477
formulaC21H32O2
global charge0
mol weight316.485
InChIKeyQXACEHWTBCFNSA-SFQUDFHCSA-N
InChIInChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
SMILESCCCCCC1=CC(O)=C(C/C=C(\C)CCC=C(C)C)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+ Image of MNXM103493
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:11][C:18]1=[CH:14][C:20]([OH:22])=[C:19]([CH2:13]/[CH:12]=[C:17](\[CH3:4])[CH2:10][CH2:8][CH:9]=[C:16]([CH3:2])[CH3:3])[C:21]([OH:23])=[CH:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69477
chebi:69477
QXACEHWTBCFNSA-SFQUDFHCSA-N 		cannabigerol
(E)-2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol
(E)-2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-resorcinol
2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol

seed.compound:cpd21452
seedM:cpd21452
kegg.compound:C20219
keggC:C20219
QXACEHWTBCFNSA-SFQUDFHCSA-N 		Cannabigerol
CBG

keggC:M_C20219
seedM:M_cpd21452 		secondary/obsolete/fantasy identifier