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13-deoxydaunorubicin

Properties

Image

Occurences in reactions

MNX_ID

MNXM6642

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₇H₃₂NO₉

charge

mass

514.20716

reference

chebi:75297

InChIKey

XAMIMZAWZUSOPA-JIGXQNLBSA-O

InChI

InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/p+1/t11-,14-,16-,17-,22+,27-/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(OC)cccc1C3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75297 chebi:75297	13-deoxydaunorubicin (1S,3S)-3-ethyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside 13-deoxydaunorubicin(1+)
lipidmaps:LMPK13050003 lipidmapsM:LMPK13050003	13-Deoxydaunorubicin
kegg.compound:C12429 keggC:C12429	13-Deoxydaunorubicin Feudomycin A
CHEBI:31057 chebi:31057	13-deoxydaunorubicin (1S,3S)-3-ethyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside Feudomycin A
metacyc.compound:CPD-15733 metacycM:CPD-15733	13-deoxydaunorubicin feudomycin A
seed.compound:cpd09181 seedM:cpd09181	Feudomycin A 13-Deoxydaunorubicin 13-deoxydaunorubicin feudomycin A
keggC:M_C12429 seedM:M_cpd09181	secondary/obsolete/fantasy identifier