input word = C00060456

Metabolite InformationStructural formula
Name Notoginsenoside SP12
Formula C36H60O10
Mw 652.41864814
CAS RN 1801723-32-9
C_ID C00060456
InChIKey OUICDHFBMJCDTL-VJZJKGBYSA-N
InChICode InChI=1S/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3/b17-13+/t18-,19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31-,34-,35-,36-/m1/s1
SMILES CC(=CC(O)C1OC1(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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