input word = C00030846

Metabolite InformationStructural formula
Name Notoginsenoside H
(+)-Notoginsenoside H
Formula C47H80O19
Mw 948.52938038
CAS RN 193976-69-1
C_ID C00030846 ,
InChIKey BIRZHRCAUBJIEK-NSPLWNOCNA-N
InChICode InChI=1S/C47H80O19/c1-42(2,60)12-9-13-47(8,66-40-36(59)33(56)31(54)25(18-48)63-40)21-10-15-45(6)29(21)22(50)16-27-44(5)14-11-28(52)43(3,4)38(44)24(17-46(27,45)7)62-41-37(34(57)32(55)26(19-49)64-41)65-39-35(58)30(53)23(51)20-61-39/h9,12,21-41,48-60H,10-11,13-20H2,1-8H3/b12-9+/t21-,22+,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41+,44+,45+,46+,47-/m0/s1
SMILES CC(C)(O)/C=C/C[C@](C)(O[C@@H]1O[C@H](CO)[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(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
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