input word = C00005473

Metabolite InformationStructural formula
Name Quercetin 3-rutinoside-7-rhamnoside
Formula C33H40O20
Mw 756.21129372
CAS RN 57528-70-8
C_ID C00005473 ,
InChIKey BFCXCFJUDBNEMU-YJDPSOAKNA-N
InChICode InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17-,19+,20+,21-,23+,24+,25-,26-,27+,28-,31-,32+,33+/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)O)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeLepidium syvaschicum Ref.
PlantaeEquisetaceaeEquisetum silvaticum Ref.
PlantaeFabaceaeLathyrus chrysanthus Ref.
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