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5-O-Galloyl-1,4-galactarolactone

PropertiesImage
MNX_IDMNXM118290 Image of MNXM118290
referencechebi:193886
formulaC13H12O11
global charge0
mol weight344.228
InChIKeySVYWZVZMBHFNGC-UHFFFAOYSA-N
InChIInChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10(11(19)20)9-7(17)8(18)13(22)23-9/h1-2,7-10,14-18H,(H,19,20)
SMILESO=C(OC(C(=O)O)C1OC(=O)C(O)C1O)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10(11(19)20)9-7(17)8(18)13(22)23-9/h1-2,7-10,14-18H,(H,19,20)/t7?,8?,9?,10? Image of MNXM118290
SMILES (mnx)[CH:1]1=[C:3]([C:12](=[O:21])[O:24][CH:10]([CH:9]2[CH:7]([OH:17])[CH:8]([OH:18])[C:13](=[O:22])[O:23]2)[C:11](=[O:19])[OH:20])[CH:2]=[C:5]([OH:15])[C:6]([OH:16])=[C:4]1[OH:14]
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:193886
chebi:193886
SVYWZVZMBHFNGC-UHFFFAOYSA-N 		5-O-Galloyl-1,4-galactarolactone
2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid
hmdb:HMDB0037202
SVYWZVZMBHFNGC-UHFFFAOYSA-N 		5-O-Galloyl-1,4-galactarolactone
(3,4-dihydroxy-5-oxooxolan-2-yl)(3,4,5-trihydroxybenzoyloxy)acetic acid
2-(3,4-Dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetate
2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetic acid

hmdb:HMDB37202 		secondary/obsolete/fantasy identifier