input word = C00053049

Metabolite InformationStructural formula
Name delta9-tetrahydrocannabinolic acid
delta9-tetrahydrocannabinic acid
Formula C22H30O4
Mw 358.21440945
CAS RN 23978-85-0
C_ID C00053049
InChIKey UCONUSSAWGCZMV-HZPDHXFCSA-N
InChICode InChI=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)/t15-,16-/m1/s1
SMILES OC(C1=C(O)C2=C(C=C1CCCCC)OC(C)(C)[C@]3([H])CCC(C)=C[C@]32[H])=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeCannabis indica Ref.
PlantaeCannabaceaeCannabis inflorescences Ref.
PlantaeCannabaceaeCannabis sativa Ref.
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OrganismCannabis inflorescences
ReferenceJin, D. et al., Sci. Rep., 10, (2020), 3309.