input word = C00031646

Metabolite InformationStructural formula
Name Camaric acid
Formula C35H52O6
Mw 568.37638939
CAS RN 146450-83-1
C_ID C00031646 ,
InChIKey RSKOPEQHBSFOLQ-CNDNMLNVNA-N
InChICode InChI=1S/C35H52O6/c1-9-21(2)27(36)41-26-19-29(3,4)18-23-22-10-11-25-32(8,31(22,7)14-16-34(23,26)28(37)38)13-12-24-30(5,6)35(39)17-15-33(24,25)20-40-35/h9-10,23-26,39H,11-20H2,1-8H3,(H,37,38)/b21-9-/t23-,24-,25-,26+,31+,32+,33+,34-,35-/m0/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana camara Ref.
PlantaeVerbenaceaeLippia turbinata Ref.
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