input word = C00013858

Metabolite InformationStructural formula
Name Quercetin 3-xylosyl-(1->3)-rhanosyl-(1->6)-[apiosyl-(1->2)-galactoside]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[D-apio-beta-D-furanosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C37H46O24
Mw 874.2379024
CAS RN 416846-52-1
C_ID C00013858 ,
InChIKey DJANCFXQRLPCSH-OPVIFBKLNA-N
InChICode InChI=1S/C37H46O24/c1-11-21(44)29(59-33-26(49)22(45)17(43)7-53-33)27(50)34(56-11)54-8-19-23(46)25(48)31(61-36-32(51)37(52,9-38)10-55-36)35(58-19)60-30-24(47)20-16(42)5-13(39)6-18(20)57-28(30)12-2-3-14(40)15(41)4-12/h2-6,11,17,19,21-23,25-27,29,31-36,38-46,48-52H,7-10H2,1H3/t11-,17-,19-,21-,22+,23+,25-,26+,27-,29+,31-,32+,33+,34+,35-,36-,37+/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[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)O)O)O)O[C@H]1[C@H]([C@@](O)(CO)CO1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus caprinus Ref.
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