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(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one

MNXM3752 is deprecated and here replaced by MNXM1371629
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371629 Image of MNXM1371629
referencechebi:58781
formulaC18H17O7
global charge-1
mol weight345.327
InChIKeyAMFXPHNKTUIKLV-GOSISDBHSA-M
InChIInChI=1S/C18H18O7/c1-7-14(22)12(9(3)20)16(24)13(15(7)23)18(4)6-5-10(21)11(8(2)19)17(18)25/h5-6,21-24H,1-4H3/p-1/t18-/m1/s1
SMILESCC(=O)C1=C([O-])C=C[C@](C)(C2=C(O)C(C)=C(O)C(C(C)=O)=C2O)C1=O
MNX internals
InChI (mnx)InChI=1/C18H18O7/c1-7-14(22)12(9(3)20)16(24)13(15(7)23)18(4)6-5-10(21)11(8(2)19)17(18)25/h5-6,21-24H,1-4H3/t18-/m1/s1 Image of MNXM1371629
SMILES (mnx)[CH3:1][C:7]1=[C:14]([OH:22])[C:12]([C:9]([CH3:3])=[O:20])=[C:16]([OH:24])[C:13]([C@@:18]2([CH3:4])[CH:6]=[CH:5][C:10]([OH:21])=[C:11]([C:8]([CH3:2])=[O:19])[C:17]2=[O:25])=[C:15]1[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58781
chebi:58781
AMFXPHNKTUIKLV-GOSISDBHSA-M 		(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
(4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate

kegg.compound:C15591
keggC:C15591
AMFXPHNKTUIKLV-GOSISDBHSA-N 		(6R)-2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one
Reduced-(S)-usnate

CHEBI:49098
chebi:49098
AMFXPHNKTUIKLV-GOSISDBHSA-N 		(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one

metacyc.compound:CPD-7412
metacycM:CPD-7412
AMFXPHNKTUIKLV-GOSISDBHSA-M 		reduced-(S)-usnate

keggC:M_C15591 		secondary/obsolete/fantasy identifier