input word = C00056568

Metabolite InformationStructural formula
Name Floranotoginsenoside A
Formula C53H90O23
Mw 1094.58728918
CAS RN 1179351-11-1
C_ID C00056568
InChIKey COFPIDIXWBCFDY-GWRSRICQSA-N
InChICode InChI=1S/C53H90O23/c1-48(2,68)13-9-14-53(8,76-46-42(67)38(63)36(61)28(73-46)22-69-44-40(65)35(60)27(21-56)70-44)23-10-16-52(7)32(23)24(57)18-30-50(5)15-12-31(49(3,4)29(50)11-17-51(30,52)6)74-47-43(39(64)34(59)26(20-55)72-47)75-45-41(66)37(62)33(58)25(19-54)71-45/h9,13,23-47,54-68H,10-12,14-22H2,1-8H3/b13-9+/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,50-,51+,52+,53-/m0/s1
SMILES CC(C)(O)/C=C/C[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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