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7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside

PropertiesImage
MNX_IDMNXM118550 Image of MNXM118550
referencechebi:175883
formulaC17H18O10
global charge0
mol weight382.321
InChIKeyYXPDWQIPHUQHKB-UHFFFAOYSA-N
InChIInChI=1S/C17H18O10/c1-6-2-9(19)12-8(16(23)24)3-7(4-10(12)25-6)26-17-15(22)14(21)13(20)11(5-18)27-17/h2-4,11,13-15,17-18,20-22H,5H2,1H3,(H,23,24)
SMILESCC1=CC(=O)C2=C(C(=O)O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1
MNX internals
InChI (mnx)InChI=1/C17H18O10/c1-6-2-9(19)12-8(16(23)24)3-7(4-10(12)25-6)26-17-15(22)14(21)13(20)11(5-18)27-17/h2-4,11,13-15,17-18,20-22H,5H2,1H3,(H,23,24)/t11?,13?,14?,15?,17? Image of MNXM118550
SMILES (mnx)[CH3:1][C:6]1=[CH:2][C:9](=[O:19])[C:12]2=[C:8]([C:16](=[O:23])[OH:24])[CH:3]=[C:7]([O:26][CH:17]3[CH:15]([OH:22])[CH:14]([OH:21])[CH:13]([OH:20])[CH:11]([CH2:5][OH:18])[O:27]3)[CH:4]=[C:10]2[O:25]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175883
chebi:175883
YXPDWQIPHUQHKB-UHFFFAOYSA-N 		7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside
2-methyl-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-5-carboxylic acid
hmdb:HMDB0036377
YXPDWQIPHUQHKB-UHFFFAOYSA-N 		7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside
2-Methyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromene-5-carboxylate
2-methyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromene-5-carboxylic acid
2-methyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromene-5-carboxylic acid
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylate 7-glucoside

hmdb:HMDB36377 		secondary/obsolete/fantasy identifier