input word = C00058332

Metabolite InformationStructural formula
Name 3beta-[(m-methoxybenzoyl)oxy]urs-12-en-28-oic acid
Formula C38H54O5
Mw 590.39712483
CAS RN 196618-61-8
C_ID C00058332
InChIKey SLFMCQVYVJOTMX-XJYYGHJTSA-N
InChICode InChI=1S/C38H54O5/c1-23-14-19-38(33(40)41)21-20-36(6)27(31(38)24(23)2)12-13-29-35(5)17-16-30(34(3,4)28(35)15-18-37(29,36)7)43-32(39)25-10-9-11-26(22-25)42-8/h9-12,22-24,28-31H,13-21H2,1-8H3,(H,40,41)/t23-,24+,28+,29-,30+,31+,35+,36-,37-,38+/m1/s1
SMILES COc1cccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus australis Ref.
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