input word = C00031023

Metabolite InformationStructural formula
Name Picconioside I
Formula C33H48O18
Mw 732.28406473
CAS RN 193478-28-3
C_ID C00031023 ,
InChIKey XRBMYCJLBGGMOM-XEXDGGNKNA-N
InChICode InChI=1S/C33H48O18/c1-11-4-5-13-15(9-45-30(20(11)13)50-32-26(40)24(38)22(36)18(7-34)48-32)29(43)47-17-6-14-16(28(42)44-3)10-46-31(21(14)12(17)2)51-33-27(41)25(39)23(37)19(8-35)49-33/h9-14,17-27,30-41H,4-8H2,1-3H3/t11-,12-,13+,14+,17-,18+,19+,20+,21-,22+,23+,24-,25-,26+,27+,30-,31-,32-,33-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]4[C@@H]3CC[C@@H]4C)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos lucida Ref.
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