Statements (20)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:charge |
0
|
| gptkbp:hasInChIKey |
QXJYYZQXQWJQFJ-UIAZACTHSA-N
|
| gptkbp:hasMolecularFormula |
C27H29NO10
|
| gptkbp:hasRegistryNumber |
CAS 58957-92-9
|
| gptkbp:hasRole |
gptkb:antibiotic
antineoplastic agent |
| gptkbp:hasSMILES |
COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)C4=C(C(=C(C(=C4C3=O)O)O)O)COC5C(C(C(C(O5)C)O)O)N)O
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEBI:61548
|
| gptkbp:isA |
anthracycline antibiotic
daunorubicin derivative |
| gptkbp:isConjugateBaseOf |
CHEBI:61547
CHEBI:61549 |
| gptkbp:IUPACName |
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8-methoxy-9,10-dihydro-7H-tetracene-5,12-dione
|
| gptkbp:mass |
527.52
|
| gptkbp:synonym |
idarubicin
4-demethoxydaunorubicin Idamycin |
| gptkbp:bfsParent |
gptkb:fructose_1,6-bisphosphate
|
| gptkbp:bfsLayer |
7
|