input word = C00011158

Metabolite InformationStructural formula
Name Quercetin 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside
Formula C42H46O24
Mw 934.2379024
CAS RN 352644-37-2
C_ID C00011158 ,
InChIKey BAYNPTIBKPKGFB-MPHIYNTPNA-N
InChICode InChI=1S/C42H46O24/c1-14-28(50)38(65-41-35(57)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)36(58)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)39(31(27)53)66-40-34(56)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,38,40-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32+,33-,34+,35+,36+,38+,40-,41-,42+/m0/s1
SMILES c1(c2c(cc(c1)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)O)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum napellus subsp. neomontanum Ref.
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