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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14O8
Molecular Weight 298.2455
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2,3-DIHYDROXYBUTANOIC ACID, (2R,3S)-

SMILES

O[C@@H](COC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@@H](O)C(O)=O

InChI

InChIKey=UBEKSSIWKHCGBJ-YAQYBTLWSA-N
InChI=1S/C13H14O8/c14-8-3-1-7(5-9(8)15)2-4-11(17)21-6-10(16)12(18)13(19)20/h1-5,10,12,14-16,18H,6H2,(H,19,20)/b4-2+/t10-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H14O8
Molecular Weight 298.2455
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VGP9GW75GD
Record Status Validated (UNII)
Record Version