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]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica dioica Ref.
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OrganismMomordica dioica
ReferenceSakakibara, J. et al., Phytochemistry, 1983, 22, 2553