input word = C00059492

Metabolite InformationStructural formula
Name Malonylginsenoside Re
Formula C51H84O21
Mw 1032.55050975
CAS RN 1250255-07-2
C_ID C00059492
InChIKey VOINPVINZHREBB-HXSDXVBYSA-N
InChICode InChI=1S/C51H84O21/c1-22(2)11-10-14-51(9,72-45-41(65)38(62)35(59)27(20-52)69-45)24-12-16-49(7)33(24)25(53)17-29-48(6)15-13-30(54)47(4,5)43(48)26(19-50(29,49)8)68-46-42(71-44-40(64)37(61)34(58)23(3)67-44)39(63)36(60)28(70-46)21-66-32(57)18-31(55)56/h11,23-30,33-46,52-54,58-65H,10,12-21H2,1-9H3,(H,55,56)/t23-,24-,25+,26-,27+,28+,29+,30-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45-,46+,48+,49+,50+,51-/m0/s1
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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