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o-orsellinate depside

PropertiesImage
MNX_IDMNXM4750 Image of MNXM4750
referencechebi:57548
formulaC16H13O7
global charge-1
mol weight317.273
InChIKeyHEMSJKZDHNSSEW-UHFFFAOYSA-M
InChIInChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)/p-1
SMILESCC1=C(C(=O)[O-])C(O)=CC(OC(=O)C2=C(C)C=C(O)C=C2O)=C1
MNX internals
InChI (mnx)InChI=1/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21) Image of MNXM4750
SMILES (mnx)[CH3:1][C:7]1=[CH:3][C:9]([OH:17])=[CH:5][C:11]([OH:18])=[C:14]1[C:16](=[O:22])[O:23][C:10]1=[CH:6][C:12]([OH:19])=[C:13]([C:15](=[O:20])[OH:21])[C:8]([CH3:2])=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57548
chebi:57548
HEMSJKZDHNSSEW-UHFFFAOYSA-M
o-orsellinate depside
4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoate
o-orsellinate depsidate anion
o-orsellinate depsidate(1-)

lipidmaps:LMPK13080001
lipidmapsM:LMPK13080001
HEMSJKZDHNSSEW-UHFFFAOYSA-N
Lecanoric acid
4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid
Orsellinate depside

seed.compound:cpd01843
seedM:cpd01843
HEMSJKZDHNSSEW-UHFFFAOYSA-M
Lecanoric acid
O-orsellinate depside
Orsellinate depside
lecanorate
lecanoric acid
orsellinate depside

kegg.compound:C02868
keggC:C02868
HEMSJKZDHNSSEW-UHFFFAOYSA-N
Lecanoric acid
Orsellinate depside

metacyc.compound:ORSELDEP-CPD
metacycM:ORSELDEP-CPD
HEMSJKZDHNSSEW-UHFFFAOYSA-M
lecanorate
O-orsellinate depside
lecanoric acid

CHEBI:15871
chebi:15871
HEMSJKZDHNSSEW-UHFFFAOYSA-N
o-orsellinate depside
2,4-Dihydroxy-6-methylbenzoic acid 4-carboxy-3-hydroxy-5-methylphenyl ester
4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoic acid
Lecanoric acid
Orsellinate depside

chebi:14701
chebi:25725
chebi:7792
keggC:M_C02868
seedM:M_cpd01843
secondary/obsolete/fantasy identifier