input word = C00030601

Metabolite InformationStructural formula
Name Karaviloside III
(+)-Karavilagenin B 3-alloside
Formula C37H62O8
Mw 634.44446896
CAS RN 922192-70-9
C_ID C00030601 ,
InChIKey SQGCPGUUCGINMK-CWWNQMEKNA-N
InChICode InChI=1S/C37H62O8/c1-21(11-10-15-33(2,3)42)22-14-16-37(8)31-25(43-9)19-24-23(35(31,6)17-18-36(22,37)7)12-13-27(34(24,4)5)45-32-30(41)29(40)28(39)26(20-38)44-32/h10,15,19,21-23,25-32,38-42H,11-14,16-18,20H2,1-9H3/b15-10+/t21-,22-,23-,25-,26-,27+,28-,29-,30-,31-,32+,35+,36-,37+/m1/s1
SMILES C1[C@@H](C(C2=C[C@H]([C@@H]3[C@]([C@@H]2C1)(CC[C@]1([C@]3(CC[C@@H]1[C@H](C)C/C=C/C(C)(C)O)C)C)C)OC)(C)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia L. Ref.
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