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epsilon-rhodomycinone

MNXM819650 is deprecated and replaced by MNXM6478
PropertiesImage
MNX_IDMNXM6478 Image of MNXM6478
referencechebi:75291
formulaC22H20O9
global charge0
mol weight428.393
InChIKeyPYFOXRACBORDCT-GOSXWKPOSA-N
InChIInChI=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
SMILESCC[C@@]1(O)C[C@H](O)C2=C(C(O)=C3C(=O)C4=C(C(=O)C3=C2O)C(O)=CC=C4)[C@H]1C(=O)OC
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM6478
SMILES (mnx)[CH3:1][CH2:3][C@@:22]1([OH:30])[CH2:7][C@H:10]([OH:24])[C:12]2=[C:19]([OH:27])[C:15]3=[C:14]([C:17](=[O:25])[C:8]4=[C:11]([C:9]([OH:23])=[CH:6][CH:4]=[CH:5]4)[C:18]3=[O:26])[C:20]([OH:28])=[C:13]2[C@H:16]1[C:21](=[O:29])[O:31][CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75291
chebi:75291
PYFOXRACBORDCT-GOSXWKPOSA-N 		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
PYFOXRACBORDCT-GOSXWKPOSA-N 		epsilon-Rhodomycinone

kegg.compound:C12425
keggC:C12425
PYFOXRACBORDCT-GOSXWKPOSA-N 		epsilon-Rhodomycinone
Rhodomycinone

seed.compound:cpd09177
seedM:cpd09177
PYFOXRACBORDCT-GOSXWKPOSA-N 		epsilon-Rhodomycinone
Rhodomycinone
epsilon-rhodomycinone

metacyc.compound:CPD-13972
metacycM:CPD-13972
PYFOXRACBORDCT-GOSXWKPOSA-N 		epsilon-rhodomycinone

chebi:32344
keggC:M_C12425
seedM:M_cpd09177 		secondary/obsolete/fantasy identifier