Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Id	http://purl.obolibrary.org/obo/CHEBI_31456 http://purl.obolibrary.org/obo/CHEBI_31456
Preferred Name	Daunorubicin hydrochloride
Synonyms	Daunorubicin hydrochloride
Type	http://www.w3.org/2002/07/owl#Class

label	Daunorubicin hydrochloride
prefLabel	Daunorubicin hydrochloride
database_cross_reference	CAS:23541-50-6 KEGG:D01264
notation	CHEBI:31456
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1
id	CHEBI:31456
charge	0
has_obo_namespace	chebi_ontology
formula	C27H29NO10.HCl C27H30ClNO10
subClassOf	http://purl.obolibrary.org/obo/CHEBI_48120
inchikey	GUGHGUXZJWAIAS-QQYBVWGSSA-N
mass	563.982
monoisotopicmass	563.15582
type	http://www.w3.org/2002/07/owl#Class
smiles	C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(C)=O)O)O)=O)OC.Cl
has_exact_synonym	Daunorubicin hydrochloride
alternative term	Daunorubicin hydrochloride

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