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Delta(9)-tetrahydrocannabinolate

PropertiesImageOccurences in reactions
MNX_IDMNXM13309Image of MNXM13309
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC22H29O4
charge-1
mass357.20713
referencechebi:66963
InChIKeyUCONUSSAWGCZMV-HZPDHXFCSA-M
InChIInChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/p-1/t15-,16-/m1/s1
SMILESCCCCCc1cc2c(c(O)c1C(=O)[O-])[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:66963
chebi:66963 		Delta(9)-tetrahydrocannabinolate
(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylate
Delta(1)-tetrahydrocannabinolate
Delta(9)-THCA
seed.compound:cpd24740
seedM:cpd24740 		1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid
THCA
delta9-tetrahydrocannabinolate
delta9-tetrahydrocannabinolic acid
CHEBI:67078
chebi:67078 		Delta(9)-tetrahydrocannabinolic acid
(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid
9-Carboxy-delta(9)-thc
9-Carboxy-thc
delta(9)-Tetrahydrocannabinolic acid
kegg.compound:C21903
keggC:C21903 		Delta9-Tetrahydrocannabinolate
metacyc.compound:CPD-7169
metacycM:CPD-7169 		Delta9-tetrahydrocannabinolate
1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid
Delta9-tetrahydrocannabinolic acid
THCA
keggC:M_C21903
seedM:M_cpd24740 		secondary/obsolete/fantasy identifier