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Hemigossypolone

MNXM6285 is deprecated and here replaced by MNXM738947
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738947

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₅H₁₄O₅

charge

mass

274.08412

reference

InChIKey

CERPPXZGSNEVMI-UHFFFAOYSA-N

InChI

InChI=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

SMILES

CC1=CC(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174602 chebi:174602	Hemigossypolone 2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
hmdb:HMDB0030744	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