input word = C00053405

Metabolite InformationStructural formula
Name Karavoate R
Formula C39H60O9
Mw 672.42373351
CAS RN 2009357-42-8
C_ID C00053405
InChIKey YZSQZWRORUCEKK-UQOSRIHBSA-N
InChICode InChI=1S/C39H60O9/c1-23(2)20-25(47-33(44)14-12-31(40)41)21-24(3)26-16-17-39(8)35-29(46-9)22-28-27(37(35,6)18-19-38(26,39)7)10-11-30(36(28,4)5)48-34(45)15-13-32(42)43/h20,22,24-27,29-30,35H,10-19,21H2,1-9H3,(H,40,41)(H,42,43)/t24-,25+,26-,27-,29+,30+,35-,37+,38-,39+/m1/s1
SMILES CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)CCC(=O)O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)CCC(=O)O)CC[C@@]3(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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