OntologieschebiclassesCHEBI:41983   
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4'-epidoxorubicinium
http://purl.obolibrary.org/obo/CHEBI_41983

An anthracycline cation resulting from the protonation of the amino group of 4'-epidoxorubicin.

Also appears infypoectoslmdrongo
Exact Synonyms
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside
Related Synonyms
4'-EPIDOXORUBICIN
class Information
charge

+1

formula

C27H30NO11

has_dbxref

PDBeChem:DM6

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1

inchikey

AOJJSUZBOXZQNB-VTZDEGQISA-O

in_subset

3_STAR

mass

544.52720

monoisotopicmass

544.18134

smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

class Relations