input word = C00033309

Metabolite InformationStructural formula
Name Pisumoside B
(-)-Pisumoside B
Formula C32H52O16
Mw 692.32553562
CAS RN 333334-43-3
C_ID C00033309 ,
InChIKey YOTRDVISFUJMJN-NMJNBBQDNA-N
InChICode InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3/t13-,14+,15+,16-,17+,18+,19-,20-,21+,22-,23+,24-,25-,26-,27-,29-,30+,31-,32-/m0/s1
SMILES C1C[C@]([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@H]([C@H]2O)O)C[C@@](CC1)([C@@H](C3)CO)O)C)(C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum L. Ref.
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