input word = C00013966

Metabolite InformationStructural formula
Name Myricetin 3-rhamnoside-3'-glucoside
3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C27H30O17
Mw 626.14829954
CAS RN 200353-67-9
C_ID C00013966 ,
InChIKey RPGJKSCSVDFKDH-XSTSBJHBNA-N
InChICode InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(40-7)44-25-19(35)15-10(30)4-9(29)5-12(15)41-24(25)8-2-11(31)17(33)13(3-8)42-27-23(39)21(37)18(34)14(6-28)43-27/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 c1c(cc(c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)c1oc2c(c(=O)c1O[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
PlantaeMyrsinaceaeMyrsine seguinii Ref.
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