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Hemigossypolone

MNXM6285 is deprecated and here replaced by MNXM738947
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738947 Image of MNXM738947
referencechebi:174602
formulaC15H14O5
global charge0
mol weight274.272
InChIKeyCERPPXZGSNEVMI-UHFFFAOYSA-N
InChIInChI=1S/C15H14O5/c1-6(2)10-12-11(8(5-16)14(19)15(10)20)9(17)4-7(3)13(12)18/h4-6,19-20H,1-3H3
SMILESCC1=CC(=O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C1=O
MNX internals
InChI (mnx)InChI=1/C15H14O5/c1-6(2)10-12-11(8(5-16)14(19)15(10)20)9(17)4-7(3)13(12)18/h4-6,19-20H,1-3H3 Image of MNXM738947
SMILES (mnx)[CH3:1][CH:6]([CH3:2])[C:10]1=[C:12]2[C:11](=[C:8]([CH:5]=[O:16])[C:14]([OH:19])=[C:15]1[OH:20])[C:9](=[O:17])[CH:4]=[C:7]([CH3:3])[C:13]2=[O:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174602
chebi:174602
CERPPXZGSNEVMI-UHFFFAOYSA-N 		Hemigossypolone
2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
hmdb:HMDB0030744
CERPPXZGSNEVMI-UHFFFAOYSA-N 		Hemigossypolone
2,3-dihydroxy-4-isopropyl-6-methyl-5,8-dioxonaphthalene-1-carbaldehyde
2,3-dihydroxy-6-methyl-5,8-dioxo-4-(propan-2-yl)-5,8-dihydronaphthalene-1-carbaldehyde
5,8-Dihydro-2,3-dihydroxy-6-methyl-4-(1-methylethyl)-5,8-dioxo-1-naphthalenecarboxaldehyde, 9ci
5-Formyl-6,7-dihydroxy-8-isopropyl-2-methyl-1,4-naphthoquinone
Para-hemigossypolone

hmdb:HMDB30744 		secondary/obsolete/fantasy identifier