input word = C00005944

Metabolite InformationStructural formula
Name Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Formula C27H22O15
Mw 586.09587004
CAS RN 128700-95-8
C_ID C00005944 ,
InChIKey XLHGECRFSYAHQI-MMCPQMGFNA-N
InChICode InChI=1S/C27H22O15/c28-11-6-14(31)19-18(7-11)40-23(9-1-2-12(29)13(30)3-9)24(22(19)37)42-27-25(21(36)17(34)8-39-27)41-26(38)10-4-15(32)20(35)16(33)5-10/h1-7,17,21,25,27-36H,8H2/t17-,21-,25-,27+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus rostrata Ref.
--Lasiobema japonica Ref.
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