input word = C00056797

Metabolite InformationStructural formula
Name Notoginsenoside FP2
Formula C58H98O26
Mw 1210.63463331
CAS RN 1004988-75-3
C_ID C00056797
InChIKey FPMOROOPDIFSMA-HOJZLLFESA-N
InChICode InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)41(69)40(68)31(80-51)23-76-49-45(73)39(67)30(21-61)77-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-52-47(42(70)37(65)28(19-59)78-52)83-53-48(43(71)38(66)29(20-60)79-53)82-50-44(72)36(64)27(63)22-75-50/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35-,36-,37+,38+,39-,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,55-,56+,57+,58-/m0/s1
SMILES CC1(C)[C@]2([H])CC[C@]3(C)[C@@](C[C@@H](O)[C@@]4([H])[C@]3(CC[C@@]4([C@](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H](O6)[C@H](O)[C@@H](O)[C@@H]6CO)O5)(C)CC/C=C(C)/C)[H])C)([H])[C@@]2(C)CC[C@@H]1O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@@H](CO)O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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