input word = C00059184

Metabolite InformationStructural formula
Name (3beta,6alpha,12beta,23R)-21,23-Epoxy-3-hydroxydammar-24-ene-6,20-diyl bis[beta-D-glucopyranoside]
Formula C42H70O14
Mw 798.47655695
CAS RN 1109255-48-2
C_ID C00059184
InChIKey SWGNNJGOPWJQIN-BOXHIUSSSA-N
InChICode InChI=1S/C42H70O14/c1-19(2)13-20-15-42(8,56-37-34(51)32(49)30(47)25(18-44)55-37)21-9-12-40(6)28(21)22(52-20)14-26-39(5)11-10-27(45)38(3,4)35(39)23(16-41(26,40)7)53-36-33(50)31(48)29(46)24(17-43)54-36/h13,20-37,43-51H,9-12,14-18H2,1-8H3/t20-,21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
SMILES CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(CO)C(O)C(O)C4O)CC23C)O1
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.chroma.2016.05.051