input word = C00060262

Metabolite InformationStructural formula
Name (3beta,12beta)-20-(beta-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-[6-O-(2-carboxyacetyl)-beta-D-glucopyranosyl]-beta-D-glucopyranoside, 6-hydrogen propanedioate
Formula C54H86O24
Mw 1118.55090368
CAS RN 1646595-51-8
C_ID C00060262
InChIKey IAYHJOLTWYUZNM-RHRFKROSSA-N
InChICode InChI=1S/C54H86O24/c1-24(2)10-9-14-54(8,78-48-45(70)41(66)38(63)27(21-55)73-48)25-11-16-53(7)37(25)26(56)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)76-49-46(43(68)40(65)29(75-49)23-72-36(62)20-34(59)60)77-47-44(69)42(67)39(64)28(74-47)22-71-35(61)19-33(57)58/h10,25-32,37-49,55-56,63-70H,9,11-23H2,1-8H3,(H,57,58)(H,59,60)/t25-,26+,27+,28+,29+,30-,31+,32-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)C(C)(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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OrganismPanax ginseng
Referencehttps://doi.org/10.1016/j.jpba.2014.12.005