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13-deoxycarminomycin

Properties

Image

Occurences in reactions

MNX_ID

MNXM5424

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₆H₃₀NO₉

charge

mass

500.19151

reference

chebi:140329

InChIKey

UHYFCDBUKBJSFA-JYFLSIMMSA-O

InChI

InChI=1S/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/p+1/t10-,13-,15-,16-,21+,26-/m0/s1

SMILES

CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140329 chebi:140329	13-deoxycarminomycin (1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside 13-deoxycarminomycin(1+)
kegg.compound:C12428 keggC:C12428	13-Deoxycarminomycin
seed.compound:cpd09180 seedM:cpd09180	13-Deoxycarminomycin 13-deoxycarminomycin
metacyc.compound:CPD-15732 metacycM:CPD-15732	13-deoxycarminomycin
CHEBI:31056 chebi:31056	13-deoxycarminomycin (1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside 13-deoxocarminomycin Antibiotic D 788-11 R 20X
keggC:M_C12428 seedM:M_cpd09180	secondary/obsolete/fantasy identifier