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methyl aklanonate

MNXM7036 is deprecated and here replaced by MNXM1370808
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370808 Image of MNXM1370808
referencechebi:77988
formulaC22H17O8
global charge-1
mol weight409.37
InChIKeyIDEZUESUWKFILV-UHFFFAOYSA-M
InChIInChI=1S/C22H18O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,24,28H,3,8-9H2,1-2H3/p-1
SMILESCCC(=O)CC(=O)C1=C(CC(=O)OC)C=C2C(=O)C3=C(C(=O)C2=C1O)C([O-])=CC=C3
MNX internals
InChI (mnx)InChI=1/C22H18O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,24,28H,3,8-9H2,1-2H3 Image of MNXM1370808
SMILES (mnx)[CH3:1][CH2:3][C:11]([CH2:9][C:15]([C:17]1=[C:10]([CH2:8][C:16](=[O:26])[O:30][CH3:2])[CH:7]=[C:13]2[C:19](=[C:21]1[OH:28])[C:22](=[O:29])[C:18]1=[C:12]([CH:5]=[CH:4][CH:6]=[C:14]1[OH:24])[C:20]2=[O:27])=[O:25])=[O:23]
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:77988
chebi:77988
IDEZUESUWKFILV-UHFFFAOYSA-M 		methyl aklanonate
8-hydroxy-6-(2-methoxy-2-oxoethyl)-9,10-dioxo-7-(3-oxopentanoyl)-9,10-dihydroanthracen-1-olate
methyl aklanonate(1-)

vmhM:aklnntme
vmhmetabolite:aklnntme
IDEZUESUWKFILV-UHFFFAOYSA-N 		Aklanonic acid methyl ester

kegg.compound:C12422
keggC:C12422
IDEZUESUWKFILV-UHFFFAOYSA-N 		Methyl aklanonate
AAME
Aklanonic acid methyl ester
Methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate

CHEBI:75311
chebi:75311
IDEZUESUWKFILV-UHFFFAOYSA-N 		methyl aklanonate
AAME
Aklanonic acid methyl ester
methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate

metacyc.compound:CPD-15729
metacycM:CPD-15729
IDEZUESUWKFILV-UHFFFAOYSA-N 		methyl aklanonate
aklanonic acid methyl ester

chebi:31179
keggC:M_C12422
vmhM:M_aklnntme 		secondary/obsolete/fantasy identifier