input word = C00060446

Metabolite InformationStructural formula
Name Notoginsenoside SP2
Formula C42H72O15
Mw 816.48712163
CAS RN 1801723-22-7
C_ID C00060446
InChIKey BOYRLURVQPANQM-WKDLRDFWSA-N
InChICode InChI=1S/C42H72O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h11,16,20-36,43-53H,9-10,12-15,17-19H2,1-8H3/b16-11+/t20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1
SMILES CC(C)(O)C(O)C=CC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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