input word = C00060461

Metabolite InformationStructural formula
Name Notoginsenoside SP17
Formula C43H72O14
Mw 812.49220701
CAS RN 1801723-37-4
C_ID C00060461
InChIKey ZOHMNPZMSAKKAA-BEVNTBLTSA-N
InChICode InChI=1S/C43H72O14/c1-20(16-23(52-9)36-40(4,5)57-36)21-10-14-43(8)29(21)22(46)17-27-41(6)13-12-28(39(2,3)26(41)11-15-42(27,43)7)55-38-35(33(50)31(48)25(19-45)54-38)56-37-34(51)32(49)30(47)24(18-44)53-37/h16,21-38,44-51H,10-15,17-19H2,1-9H3/b20-16+/t21-,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,41+,42-,43-/m1/s1
SMILES COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)C1OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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