input word = C00056571

Metabolite InformationStructural formula
Name Floranotoginsenoside D
Formula C53H90O23
Mw 1094.58728918
CAS RN 1179351-17-7
C_ID C00056571
InChIKey BVGIWTIWQZWOAI-YTCPUDGYSA-N
InChICode InChI=1S/C53H90O23/c1-22(2)24(57)10-16-53(8,76-47-43(68)39(64)37(62)29(73-47)21-69-45-41(66)36(61)28(20-56)70-45)23-9-14-52(7)33(23)25(58)17-31-50(5)13-12-32(49(3,4)30(50)11-15-51(31,52)6)74-48-44(40(65)35(60)27(19-55)72-48)75-46-42(67)38(63)34(59)26(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 C=C(C)C(O)CC[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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