input word = C00052864

Metabolite InformationStructural formula
Name Balsaminoside B
Formula C36H60O8
Mw 620.42881889
CAS RN 1352809-95-0
C_ID C00052864
InChIKey POYBZOIHJHDZFP-MNOOCEDISA-N
InChICode InChI=1S/C36H60O8/c1-19(2)15-21(38)16-20(3)22-11-12-36(8)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(9-10-27(39)33(24,4)5)34(31,6)13-14-35(22,36)7/h15,17,20-23,25-32,37-42H,9-14,16,18H2,1-8H3/t20-,21+,22-,23-,25+,26-,27+,28-,29-,30-,31-,32-,34+,35-,36+/m1/s1
SMILES [H][C@@]12[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O3)C=C4C(C)(C)[C@@H](O)CC[C@@]4([H])[C@]1(C)CC[C@@]5(C)[C@@]2(C)CC[C@]5([H])[C@H](C)C[C@@H](O)/C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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