input word = C00060261

Metabolite InformationStructural formula
Name (3beta,12beta)-20-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside
Formula C52H86O20
Mw 1030.57124519
CAS RN 1646595-50-7
C_ID C00060261
InChIKey ZLNSNUFITCZIHR-SJSOZKBRSA-N
InChICode InChI=1S/C52H86O20/c1-24(2)12-11-16-52(10,72-46-43(64)40(61)38(59)31(69-46)23-66-26(4)55)27-13-18-51(9)35(27)28(56)20-33-49(7)17-15-34(48(5,6)32(49)14-19-50(33,51)8)70-47-44(41(62)36(57)29(21-53)67-47)71-45-42(63)39(60)37(58)30(68-45)22-65-25(3)54/h12,27-47,53,56-64H,11,13-23H2,1-10H3/t27-,28+,29+,30+,31+,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50+,51+,52-/m0/s1
SMILES CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OC6OC(COC(C)=O)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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