input word = C00036529

Metabolite InformationStructural formula
Name 3-Acetoxycopalic acid
Formula C22H34O4
Mw 362.24570957
CAS RN 109362-69-8
C_ID C00036529 ,
InChIKey OMNJRQNCWHCCBZ-OHDXBQBWNA-N
InChICode InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22-/m0/s1
SMILES C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCopaifera multijuga Ref.
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OrganismCopaifera multijuga
ReferenceCascon,Phytochem.,55,(2000),773