input word = C00005749

Metabolite InformationStructural formula
Name Myricetin 3-rutinoside-7-rhamnoside
Formula C33H40O21
Mw 772.20620834
CAS RN
C_ID C00005749 ,
InChIKey PUGCFQSSZSFPTE-BRNFWBRCNA-N
InChICode InChI=1S/C33H40O21/c1-8-18(37)23(42)26(45)31(49-8)48-7-16-21(40)25(44)28(47)33(53-16)54-30-22(41)17-12(34)5-11(51-32-27(46)24(43)19(38)9(2)50-32)6-15(17)52-29(30)10-3-13(35)20(39)14(36)4-10/h3-6,8-9,16,18-19,21,23-28,31-40,42-47H,7H2,1-2H3/t8-,9-,16-,18+,19+,21-,23+,24+,25+,26-,27-,28-,31-,32+,33+/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeViolaceaeViola spp. Ref.
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