input word = C00013967

Metabolite InformationStructural formula
Name Myricetin 3-(2G-rhamnosylrutinoside)
Myricetin 3-O-(2'',6''-di-O-alpha-rhamnosyl)-beta-glucoside
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O21
Mw 772.20620834
CAS RN 199985-43-8
C_ID C00013967 ,
InChIKey DORABKJYWOFZGC-MAZCPXDTNA-N
InChICode InChI=1S/C33H40O21/c1-8-18(38)23(43)26(46)31(49-8)48-7-16-21(41)25(45)30(54-32-27(47)24(44)19(39)9(2)50-32)33(52-16)53-29-22(42)17-12(35)5-11(34)6-15(17)51-28(29)10-3-13(36)20(40)14(37)4-10/h3-6,8-9,16,18-19,21,23-27,30-41,43-47H,7H2,1-2H3/t8-,9+,16+,18-,19-,21+,23+,24-,25-,26-,27-,30-,31+,32-,33-/m0/s1
SMILES c1c(cc(c(c1O)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)C)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeClitoria ternatea Ref.
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OrganismClitoria ternatea
ReferenceKazuma,Phytochem.,62,(2003),229