input word = C00031647

Metabolite InformationStructural formula
Name Camaryolic acid
(+)-Camaryolic acid
Formula C36H54O6
Mw 582.39203946
CAS RN 618906-09-5
C_ID C00031647 ,
InChIKey VXRPFQZOVJGGIP-YHQSEXEHNA-N
InChICode InChI=1S/C36H54O6/c1-10-21(2)29(37)42-27-19-22(3)23(4)28-24-11-12-26-33(8,32(24,7)15-17-35(27,28)30(38)39)14-13-25-31(5,6)36(40-9)18-16-34(25,26)20-41-36/h10-11,22-23,25-28H,12-20H2,1-9H3,(H,38,39)/b21-10-/t22-,23+,25+,26+,27-,28+,32-,33-,34-,35-,36+/m1/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](C[C@H]([C@@H]1C)C)OC(=O)/C(=C\C)/C)C(=O)O)C)C)CO2)(C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana camara Ref.
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