input word = C00056569

Metabolite InformationStructural formula
Name Floranotoginsenoside B
Formula C53H90O24
Mw 1110.58220381
CAS RN 1179351-13-3
C_ID C00056569
InChIKey YHOFSUBFLXNGPG-FMGVWRHESA-N
InChICode InChI=1S/C53H90O24/c1-22(2)26(77-68)10-16-53(8,76-47-43(67)39(63)37(61)29(73-47)21-70-45-41(65)34(58)25(57)20-69-45)23-9-14-52(7)33(23)24(56)17-31-50(5)13-12-32(49(3,4)30(50)11-15-51(31,52)6)74-48-44(40(64)36(60)28(19-55)72-48)75-46-42(66)38(62)35(59)27(18-54)71-46/h23-48,54-68H,1,9-21H2,2-8H3/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-,48-,50-,51+,52+,53-/m0/s1
SMILES CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@]4(C)[C@@]5([H])C[C@@H](O)[C@@]6([H])[C@](CC[C@@]6([C@](C)(CCC(OO)C(C)=C)O[C@@H]7O[C@H](CO[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[H])(C)[C@]5(C)CC[C@]41[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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