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demethylsulochrin

PropertiesImage
MNX_IDMNXM4565 Image of MNXM4565
referencechebi:77886
formulaC16H12O7
global charge-2
mol weight316.265
InChIKeyXMNMFMYKFRXRFH-UHFFFAOYSA-L
InChIInChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22)/p-2
SMILESCOC1=C(C(=O)C2=C(O)C=C(C)C=C2[O-])C(C(=O)[O-])=CC(O)=C1
MNX internals
InChI (mnx)InChI=1/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22) Image of MNXM4565
SMILES (mnx)[CH3:1][C:7]1=[CH:3][C:10]([OH:18])=[C:14]([C:15]([C:13]2=[C:9]([C:16](=[O:21])[OH:22])[CH:5]=[C:8]([OH:17])[CH:6]=[C:12]2[O:23][CH3:2])=[O:20])[C:11]([OH:19])=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77886
chebi:77886
XMNMFMYKFRXRFH-UHFFFAOYSA-L 		demethylsulochrin
5-hydroxy-2-(2-hydroxy-4-methyl-6-oxidobenzoyl)-3-methoxybenzoate
demethylsulochrin(2-)

kegg.compound:C15504
keggC:C15504
XMNMFMYKFRXRFH-UHFFFAOYSA-N 		Demethylsulochrin

seed.compound:cpd11186
seedM:cpd11186
XMNMFMYKFRXRFH-UHFFFAOYSA-M 		Demethylsulochrin
demethylsulochrin
desmethylsulochrin

CHEBI:58760
chebi:58760
XMNMFMYKFRXRFH-UHFFFAOYSA-M 		demethylsulochrin(1-)
2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate

CHEBI:48948
chebi:48948
XMNMFMYKFRXRFH-UHFFFAOYSA-N 		demethylsulochrin
2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid
desmethylsulochrin

metacyc.compound:DESMETHYLSULOCHRIN
metacycM:DESMETHYLSULOCHRIN
XMNMFMYKFRXRFH-UHFFFAOYSA-L 		demethylsulochrin
desmethylsulochrin

keggC:M_C15504
seedM:M_cpd11186 		secondary/obsolete/fantasy identifier