input word = C00056877

Metabolite InformationStructural formula
Name Notoginsenoside Rw2
Formula C41H70O14
Mw 786.47655695
CAS RN 1150246-94-8
C_ID C00056877
InChIKey ZKIZSKWOCCTOTN-BUZDTIFOSA-N
InChICode InChI=1S/C41H70O14/c1-36(2,50)12-9-13-41(8,51)20-10-15-39(6)27(20)21(42)16-25-38(5)14-11-26(44)37(3,4)33(38)23(17-40(25,39)7)54-35-32(49)30(47)29(46)24(55-35)19-53-34-31(48)28(45)22(43)18-52-34/h9,13,20-35,42-51H,10-12,14-19H2,1-8H3/b13-9+/t20-,21+,22+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33?,34-,35+,38+,39+,40+,41-/m0/s1
SMILES CC(C)(O)C/C=C/[C@](C)(O)[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)C3[C@@H](O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[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.
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