input word = C00013986

Metabolite InformationStructural formula
Name Robinetin 3-rutinoside
5-Deoxymyricetin 3-rutinoside
3,7,3',4',5'-Pentahydroxyflavone 3-rutinoside
Formula C27H30O16
Mw 610.15338491
CAS RN
C_ID C00013986 ,
InChIKey CNUZFVYPYQSMRV-SICPLBESNA-N
InChICode InChI=1S/C27H30O16/c1-8-16(31)20(35)22(37)26(40-8)39-7-15-19(34)21(36)23(38)27(42-15)43-25-17(32)11-3-2-10(28)6-14(11)41-24(25)9-4-12(29)18(33)13(30)5-9/h2-6,8,15-16,19-23,26-31,33-38H,7H2,1H3/t8-,15-,16+,19-,20-,21+,22+,23-,26-,27+/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)ccc4c3=O)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAteleia herbert-smithii Ref.
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