Search MNXref
 Feedback

Delta(9)-tetrahydrocannabinolate

PropertiesImage
MNX_IDMNXM13309 Image of MNXM13309
referencechebi:66963
formulaC22H29O4
global charge-1
mol weight357.47
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
SMILESCCCCCC1=CC2=C(C(O)=C1C(=O)[O-])[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2
MNX internals
InChI (mnx)InChI=1/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)/t15-,16-/m1/s1 Image of MNXM13309
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][C:14]1=[C:18]([C:21](=[O:24])[OH:25])[C:20]([OH:23])=[C:19]2[C@@H:15]3[CH:11]=[C:13]([CH3:2])[CH2:9][CH2:10][C@H:16]3[C:22]([CH3:3])([CH3:4])[O:26][C:17]2=[CH:12]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66963
chebi:66963
UCONUSSAWGCZMV-HZPDHXFCSA-M 		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
UCONUSSAWGCZMV-HZPDHXFCSA-M 		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
UCONUSSAWGCZMV-HZPDHXFCSA-N 		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
UCONUSSAWGCZMV-HZPDHXFCSA-N 		Delta9-Tetrahydrocannabinolate

metacyc.compound:CPD-7169
metacycM:CPD-7169
UCONUSSAWGCZMV-HZPDHXFCSA-M 		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
hmdb:HMDB0304545
UCONUSSAWGCZMV-HZPDHXFCSA-M 		delta-9-tetrahydrocannabinolate
Δ9-tetrahydrocannabinolate
Δ9-tetrahydrocannabinolic acid
(6AR)-2-carboxy-6,6,9-trimethyl-3-pentyl-6H,6ah,7H,8H,10ah-benzo[c]isochromen-1-olic acid
(6Ar)-2-carboxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-olic acid
(6aR)-2-carboxy-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-olate
(6aR)-2-carboxy-6,6,9-trimethyl-3-pentyl-6aH,7H,8H,10aH-benzo[c]isochromen-1-olate
1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylate
1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid
THCA
delta9-tetrahydrocannabinolic acid

keggC:M_C21903
seedM:M_cpd24740 		secondary/obsolete/fantasy identifier