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12-Deoxyaklanonic acid

MNXM8013 is deprecated and here replaced by MNXM1372264
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372264 Image of MNXM1372264
referencechebi:31054
formulaC21H18O7
global charge0
mol weight382.368
InChIKeyGOOWFUBMXUJYPR-UHFFFAOYSA-N
InChIInChI=1S/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,23,28H,2,6,8-9H2,1H3,(H,25,26)
SMILESCCC(=O)CC(=O)C1=C(O)C2=C(C=C1CC(=O)O)CC1=CC=CC(O)=C1C2=O
MNX internals
InChI (mnx)InChI=1/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,23,28H,2,6,8-9H2,1H3,(H,25,26) Image of MNXM1372264
SMILES (mnx)[CH3:1][CH2:2][C:13]([CH2:9][C:15]([C:18]1=[C:12]([CH2:8][C:16](=[O:25])[OH:26])[CH:7]=[C:11]2[CH2:6][C:10]3=[C:17]([C:14]([OH:23])=[CH:5][CH:3]=[CH:4]3)[C:20](=[O:27])[C:19]2=[C:21]1[OH:28])=[O:24])=[O:22]
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:31054
chebi:31054
kegg.compound:C12420
keggC:C12420
GOOWFUBMXUJYPR-UHFFFAOYSA-N 		12-Deoxyaklanonic acid

metacyc.compound:CPD-15771
metacycM:CPD-15771
GOOWFUBMXUJYPR-UHFFFAOYSA-M 		12-deoxyaklanoate
[4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9H-anthracen-2-yl]acetate
aklanonic acid anthrone

keggC:M_C12420 		secondary/obsolete/fantasy identifier