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cannabidiol

MNXM103492 is deprecated and here replaced by MNXM1370928
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370928 Image of MNXM1370928
referencechebi:69478
formulaC21H30O2
global charge0
mol weight314.469
InChIKeyQHMBSVQNZZTUGM-ZWKOTPCHSA-N
InChIInChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C=C(CCCCC)C=C1O
MNX internals
InChI (mnx)InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 Image of MNXM1370928
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][C:16]1=[CH:12][C:19]([OH:22])=[C:21]([C@@H:18]2[CH:11]=[C:15]([CH3:4])[CH2:9][CH2:10][C@H:17]2[C:14](=[CH2:2])[CH3:3])[C:20]([OH:23])=[CH:13]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69478
chebi:69478
QHMBSVQNZZTUGM-ZWKOTPCHSA-N 		cannabidiol
(-)-CBD
(-)-cannabidiol
(-)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol
(-)-trans-cannabidiol
(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
Delta(1(2))-trans-cannabidiol
cannabidiolum

kegg.drug:D10915
keggD:D10915
QHMBSVQNZZTUGM-ZWKOTPCHSA-N 		Cannabidiol (JAN/USAN/INN)
CBD
Epidiolex (TN)

lipidmaps:LMPK13120005
lipidmapsM:LMPK13120005
QHMBSVQNZZTUGM-ZWKOTPCHSA-N 		Cannabidiol
(-)-Cannabidiol
2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
CBD

seed.compound:cpd04746
seedM:cpd04746
QHMBSVQNZZTUGM-ZWKOTPCHSA-N 		Cannabidiol
2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol
CBD
cannabidiol

kegg.compound:C07578
keggC:C07578
QHMBSVQNZZTUGM-ZWKOTPCHSA-N 		Cannabidiol
CBD

chebi:3358
keggC:M_C07578
keggD:M_D10915
seedM:M_cpd04746 		secondary/obsolete/fantasy identifier