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 C1[C@]2(C([C@H]3[C@](C1)([C@@H]1[C@@](CC3)([C@]3(C(=CC1)[C@H]1[C@@](CC3)([C@@H](CC(C1)(C)C)OC(=O)/C(=C\C)/C)C(=O)O)C)C)CO2)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana camara Ref.
PlantaeVerbenaceaeLippia turbinata Ref.
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