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loading...| Preferred Name | Daunorubicin hydrochloride | |
| Synonyms |
Daunorubicin hydrochloride |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31456 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:23541-50-6 KEGG:D01264 |
|
| formula |
C27H29NO10.HCl C27H30ClNO10 |
|
| has_exact_synonym |
Daunorubicin hydrochloride |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:31456 |
|
| in_subset | ||
| 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 |
|
| inchikey |
GUGHGUXZJWAIAS-QQYBVWGSSA-N |
|
| label |
Daunorubicin hydrochloride |
|
| mass |
563.982 |
|
| monoisotopicmass |
563.15582 |
|
| notation |
CHEBI:31456 |
|
| prefLabel |
Daunorubicin hydrochloride |
|
| 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 |
|
| treeView | ||
| subClassOf |
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