input word = C00059695

Metabolite InformationStructural formula
Name Ginsenoside Ra5
Formula C60H100O27
Mw 1252.64519799
CAS RN 1346522-88-0
C_ID C00059695
InChIKey NRJSRRMTRWBSEY-MEFSGEJESA-N
InChICode InChI=1S/C60H100O27/c1-25(2)11-10-15-60(9,87-54-49(76)44(71)41(68)32(84-54)23-79-51-47(74)42(69)33(24-80-51)82-52-46(73)38(65)29(64)21-78-52)27-12-17-59(8)37(27)28(63)19-35-57(6)16-14-36(56(4,5)34(57)13-18-58(35,59)7)85-55-50(45(72)39(66)30(20-61)81-55)86-53-48(75)43(70)40(67)31(83-53)22-77-26(3)62/h11,27-55,61,63-76H,10,12-24H2,1-9H3/t27-,28+,29+,30+,31+,32+,33-,34-,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52-,53-,54-,55-,57-,58+,59+,60-/m0/s1
SMILES CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OC6OC(COC7OCC(OC8OCC(O)C(O)C8O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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