input word = C00063435

Metabolite InformationStructural formula
Name Floralginsenoside J
Formula C48H82O20
Mw 978.53994506
CAS RN 937171-10-3
C_ID C00063435
InChIKey MZQDOPLSRANKDT-NNBBZTHPSA-N
InChICode InChI=1S/C48H82O20/c1-20(2)24(68-61)11-15-48(9,67-42-38(60)35(57)32(54)26(18-49)64-42)22-10-14-46(7)30(22)23(51)16-28-45(6)13-12-29(52)44(4,5)40(45)25(17-47(28,46)8)63-43-39(36(58)33(55)27(19-50)65-43)66-41-37(59)34(56)31(53)21(3)62-41/h21-43,49-61H,1,10-19H2,2-9H3/t21-,22-,23+,24?,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1
SMILES C=C(C)C(CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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