input word = C00013860

Metabolite InformationStructural formula
Name Quercetin 3-rhamnosyl-(1->6)-[glucosyl-(1->2)-glucoside]-7-rhamnoside
3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
Formula C39H50O25
Mw 918.26411715
CAS RN 637774-58-4
C_ID C00013860 ,
InChIKey CIWKSSSVUDYMTL-QBAYWPSNNA-N
InChICode InChI=1S/C39H50O25/c1-10-21(44)26(49)30(53)36(57-10)56-9-19-24(47)29(52)35(64-38-32(55)28(51)23(46)18(8-40)61-38)39(62-19)63-34-25(48)20-16(43)6-13(59-37-31(54)27(50)22(45)11(2)58-37)7-17(20)60-33(34)12-3-4-14(41)15(42)5-12/h3-7,10-11,18-19,21-24,26-32,35-47,49-55H,8-9H2,1-2H3/t10-,11-,18+,19+,21-,22-,23+,24+,26+,27+,28-,29-,30-,31-,32+,35+,36+,37-,38-,39-/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCanellaceaeWarburgia ugandensis Ref.
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