input word = C00013965

Metabolite InformationStructural formula
Name Myricetin 3-neohesperidoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H30O17
Mw 626.14829954
CAS RN 431887-48-8
C_ID C00013965 ,
InChIKey LUITYVJNCILVDI-BTBCEUEINA-N
InChICode InChI=1S/C27H30O17/c1-7-16(33)20(37)22(39)26(40-7)44-25-21(38)18(35)14(6-28)42-27(25)43-24-19(36)15-10(30)4-9(29)5-13(15)41-23(24)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,25-35,37-39H,6H2,1H3/t7-,14-,16-,18+,20-,21-,22-,25-,26-,27-/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)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.
PlantaeSolanaceaePhysalis angulata Ref.
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OrganismPhysalis angulata
ReferenceIsmail,Fitoterapia,72,(2001),676