U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14O7
Molecular Weight 306.2675
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Melacacidin, (-)-

SMILES

O[C@@H]1[C@H](O)C2=CC=C(O)C(O)=C2O[C@@H]1C3=CC(O)=C(O)C=C3

InChI

InChIKey=JEUXGAUBSWADEA-MRVWCRGKSA-N
InChI=1S/C15H14O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,11,13-14,16-21H/t11-,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14O7
Molecular Weight 306.2675
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M23MQJ2D23
Record Status Validated (UNII)
Record Version