input word = C00052857

Metabolite InformationStructural formula
Name Balsaminagenin B
Formula C31H52O4
Mw 488.38656015
CAS RN 1193748-70-7
C_ID C00052857
InChIKey ZACSSZNPODCJNA-NOXBPOAZSA-N
InChICode InChI=1S/C31H52O4/c1-20(10-9-14-27(2,3)35-8)21-13-15-31(7)26-24(33)18-23-22(11-12-25(34)29(23,5)19-32)28(26,4)16-17-30(21,31)6/h9,14,18,20-22,24-26,32-34H,10-13,15-17,19H2,1-8H3/b14-9+/t20-,21-,22-,24+,25+,26-,28+,29-,30-,31+/m1/s1
SMILES COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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