input word = C00051198

Metabolite InformationStructural formula
Name Lantaiursolic acid
Formula C35H56O5
Mw 556.4127749
CAS RN 150853-96-6
C_ID C00051198
InChIKey CDKLEHLPJLXEPM-ARXCNOSANA-N
InChICode InChI=1S/C35H56O5/c1-21(2)20-27(36)40-26-14-15-31(6)24(30(26,4)5)13-16-33(8)25(31)11-10-23-28-34(9,39)22(3)12-17-35(28,29(37)38)19-18-32(23,33)7/h10,21-22,24-26,28,39H,11-20H2,1-9H3,(H,37,38)/t22-,24+,25-,26+,28-,31+,32-,33-,34-,35+/m1/s1
SMILES CC(C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](OC=O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana camara Ref.
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