input word = C00005735

Metabolite InformationStructural formula
Name Myricetin 3-robinobioside
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H30O17
Mw 626.14829954
CAS RN 145544-43-0
C_ID C00005735 ,
InChIKey QCIILLDRJZPUDI-GBPJRYLNNA-N
InChICode InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7-,14-,16-,18-,20-,21+,22+,23-,26+,27-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)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
PlantaeMyrtaceaeSyzygium cumini Ref.
PlantaeNymphaeaceaeNymphaea marliacea Ref.
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