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epsilon-rhodomycinone

MNXM819650 is deprecated and replaced by MNXM6478

Properties

Image

Occurences in reactions

MNX_ID

MNXM6478

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₂H₂₀O₉

charge

mass

428.11073

reference

chebi:75291

InChIKey

PYFOXRACBORDCT-GOSXWKPOSA-N

InChI

InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1

SMILES

CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75291 chebi:75291	epsilon-rhodomycinone E-Rhodomycinone NSC 196524 Rhodomycinone epsilon-Rhodomycinone methyl (1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
sabiork.compound:14457 sabiorkM:14457	epsilon-Rhodomycinone
kegg.compound:C12425 keggC:C12425	epsilon-Rhodomycinone Rhodomycinone
seed.compound:cpd09177 seedM:cpd09177	epsilon-Rhodomycinone Rhodomycinone epsilon-rhodomycinone
metacyc.compound:CPD-13972 metacycM:CPD-13972	epsilon-rhodomycinone
chebi:32344 keggC:M_C12425 seedM:M_cpd09177	secondary/obsolete/fantasy identifier