input word = C00044970

Metabolite InformationStructural formula
Name Notoginsenoside P
Formula C52H88O21
Mw 1048.58180988
CAS RN 575446-91-2
C_ID C00044970 ,
InChIKey FAMUWZNCFCXABA-RAFHLNQHNA-N
InChICode InChI=1S/C52H88O21/c1-23(2)10-9-14-52(8,73-47-43(65)39(61)36(58)28(71-47)21-67-44-41(63)37(59)29(22-68-44)70-45-40(62)34(56)26(55)20-66-45)24-11-16-51(7)33(24)25(54)18-31-49(5)15-13-32(48(3,4)30(49)12-17-50(31,51)6)72-46-42(64)38(60)35(57)27(19-53)69-46/h10,24-47,53-65H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43+,44-,45-,46-,47-,49-,50+,51+,52-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[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(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
zoom in