input word = C00005475

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->2)-rhamnoside-7-rhamnoside
Formula C33H40O20
Mw 756.21129372
CAS RN 138989-37-4
C_ID C00005475 ,
InChIKey PRAMLMJWCYDPOF-NQCXGSCCNA-N
InChICode InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(47-9)49-12-6-15(37)18-16(7-12)50-28(11-3-4-13(35)14(36)5-11)29(22(18)41)52-33-30(25(44)20(39)10(2)48-33)53-32-27(46)24(43)21(40)17(8-34)51-32/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17-,19+,20+,21-,23+,24-,25-,26-,27-,30+,31+,32+,33+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)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
PlantaeCrassulaceaeSedum sarmentosum Ref.
PlantaeResedaceaeOchradenus baccatus Ref.
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