Feedback

Myricetin 3-neohesperidoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM62797

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₇H₃₀O₁₇

charge

mass

626.1483

reference

chebi:177981

InChIKey

LUITYVJNCILVDI-NVMXCJJVSA-N

InChI

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

CC1O[C@@H](OC2[C@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC(CO)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177981 chebi:177981	Myricetin 3-neohesperidoside 3-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
lipidmaps:LMPK12112455 lipidmapsM:LMPK12112455	Myricetin 3-neohesperidoside
hmdb:HMDB0038287	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 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
hmdb:HMDB38287	secondary/obsolete/fantasy identifier