input word = C00005434

Metabolite InformationStructural formula
Name Quercetin 3,7-diglucuronide
Formula C27H26O19
Mw 654.10682865
CAS RN 31564-38-2
C_ID C00005434 ,
InChIKey RJXRCQLCSPIUMK-KZHPWOFCNA-N
InChICode InChI=1S/C27H26O19/c28-8-2-1-6(3-9(8)29)20-21(44-27-19(37)15(33)17(35)23(46-27)25(40)41)13(31)12-10(30)4-7(5-11(12)43-20)42-26-18(36)14(32)16(34)22(45-26)24(38)39/h1-5,14-19,22-23,26-30,32-37H,(H,38,39)(H,40,41)/t14-,15-,16-,17-,18+,19+,22-,23-,26+,27+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMacroptilium lathyroides Ref.
PlantaeFabaceaePhaseolus spp. Ref.
PlantaeFabaceaeVigna spp. Ref.
PlantaeOnagraceaeOenothera rosea Ref.
PlantaeOnagraceaeOenothera speciosa Ref.
PlantaeRosaceaePotentilla reptans Ref.
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