input word = C00055197

Metabolite InformationStructural formula
Name 3-Benzoyloxy-6-oxo-12-ursen-28-oic acid
Formula C37H50O5
Mw 574.36582471
CAS RN 205699-24-7
C_ID C00055197
InChIKey WTRSURIFLHBSLZ-PBJPUNGASA-N
InChICode InChI=1S/C37H50O5/c1-22-15-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)13-14-27-34(5)17-16-28(42-31(39)24-11-9-8-10-12-24)33(3,4)30(34)26(38)21-36(27,35)7/h8-13,22-23,27-30H,14-21H2,1-7H3,(H,40,41)/t22-,23+,27-,28+,29+,30+,34-,35-,36-,37+/m1/s1
SMILES C[C@@H]1CC[C@@]2(C(O)=O)[C@@](C3=CC[C@@]([C@](CC[C@H](OC(C4=CC=CC=C4)=O)C5(C)C)(C)[C@@]5([H])C(C6)=O)([H])[C@]6(C)[C@]3(C)CC2)([H])[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica dioica Ref.
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