input word = C00029884

Metabolite InformationStructural formula
Name Camangeloyl acid
Formula C35H50O7
Mw 582.35565395
CAS RN 618906-10-8
C_ID C00029884 ,
InChIKey WQBROYJPEROJLE-WOYQIRKMNA-N
InChICode InChI=1S/C35H50O7/c1-9-19(2)28(37)42-25-16-20(3)21(4)26-22-17-23(36)27-32(8,31(22,7)12-14-34(25,26)29(38)39)11-10-24-30(5,6)35(40)15-13-33(24,27)18-41-35/h9,17,20-21,24-27,40H,10-16,18H2,1-8H3,(H,38,39)/b19-9-/t20-,21+,24+,25-,26+,27+,31-,32-,33-,34-,35+/m1/s1
SMILES [C@H]1(C[C@H]([C@]2([C@@H]([C@H]1C)C1=CC(=O)[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]23CC[C@@](C1(C)C)(OC2)O)C)C(=O)O)OC(=O)/C(=C\C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana camara LINN. Ref.
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