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5-hydroxyanthraquinone-1,3-dicarboxylic acid

PropertiesImage
MNX_IDMNXM1113170 Image of MNXM1113170
referencechebi:147316
formulaC16H8O7
global charge0
mol weight312.233
InChIKeyPUCOYOWRQVIAFW-UHFFFAOYSA-N
InChIInChI=1S/C16H8O7/c17-10-3-1-2-7-12(10)14(19)8-4-6(15(20)21)5-9(16(22)23)11(8)13(7)18/h1-5,17H,(H,20,21)(H,22,23)
SMILESO=C(O)C1=CC2=C(C(=O)C3=C(C2=O)C(O)=CC=C3)C(C(=O)O)=C1
MNX internals
InChI (mnx)InChI=1/C16H8O7/c17-10-3-1-2-7-12(10)14(19)8-4-6(15(20)21)5-9(16(22)23)11(8)13(7)18/h1-5,17H,(H,20,21)(H,22,23) Image of MNXM1113170
SMILES (mnx)[CH:1]1=[CH:2][C:7]2=[C:12]([C:10]([OH:17])=[CH:3]1)[C:14](=[O:19])[C:8]1=[C:11]([C:9]([C:16](=[O:22])[OH:23])=[CH:5][C:6]([C:15](=[O:20])[OH:21])=[CH:4]1)[C:13]2=[O:18]
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:147316
chebi:147316
PUCOYOWRQVIAFW-UHFFFAOYSA-N
5-hydroxyanthraquinone-1,3-dicarboxylic acid