input word = C00060260

Metabolite InformationStructural formula
Name (3beta,12beta)-3-[[2-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy]-12-hydroxydammar-24-en-20-yl O-beta-D-xylopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Formula C61H102O28
Mw 1282.65576268
CAS RN 1646595-49-4
C_ID C00060260
InChIKey MQHAPACHPNAQLC-VEQNPLAVSA-N
InChICode InChI=1S/C61H102O28/c1-25(2)11-10-15-61(9,89-55-48(77)44(73)41(70)33(85-55)24-81-53-49(78)50(42(71)31(21-63)82-53)87-52-46(75)38(67)29(66)22-80-52)27-12-17-60(8)37(27)28(65)19-35-58(6)16-14-36(57(4,5)34(58)13-18-59(35,60)7)86-56-51(45(74)39(68)30(20-62)83-56)88-54-47(76)43(72)40(69)32(84-54)23-79-26(3)64/h11,27-56,62-63,65-78H,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-,56-,58-,59+,60+,61-/m0/s1
SMILES CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OC6OC(COC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)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.
zoom in