input word = C00005625

Metabolite InformationStructural formula
Name Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside
Formula C31H38O16
Mw 666.21598517
CAS RN 58528-03-3
C_ID C00005625 ,
InChIKey MEJNXDYVXPUWEN-QLDMWPBONA-N
InChICode InChI=1S/C31H38O16/c1-12-21(32)24(35)26(37)30(44-12)43-11-19-22(33)25(36)27(38)31(46-19)47-29-23(34)20-17(42-5)9-14(39-2)10-18(20)45-28(29)13-6-7-15(40-3)16(8-13)41-4/h6-10,12,19,21-22,24-27,30-33,35-38H,11H2,1-5H3/t12-,19-,21+,22+,24+,25+,26-,27-,30-,31+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeFagopyrum tataricum Ref.
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