input word = C00005992

Metabolite InformationStructural formula
Name Quercetin 3-(2'''-p-coumarylsambubioside)-7-glucoside
Formula C41H44O23
Mw 904.22733772
CAS RN 162556-37-8
C_ID C00005992 ,
InChIKey VZEXGWGJXZJLPY-SUBLTAIXNA-N
InChICode InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OC1C(O)[C@H](O)CO[C@H]1OC1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@@H](CO)[C@@H](O)C(O)C4O)cc(O)c3c2=O)OC(CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus biternatus Ref.
PlantaeRanunculaceaeRanunculus moseleyi Ref.
PlantaeRanunculaceaeRanunculus pseudotrullifolius Ref.
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