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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | 5-methyl-N'-(phenylmethyl)-3-isoxazolecarbohydrazide | |
| Synonyms |
Ro 5-0831/1 isocarboxazide marplan Ro 5-0831 benazide isocarboxyzid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_93635 |
|
| charge |
0
|
|
| database_cross_reference |
LINCS:LSM-4101 Drug_Central:1490 CAS:59-63-2 HMDB:HMDB0015377
|
|
| formula |
C12H13N3O2
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Ro 5-0831/1 isocarboxazide marplan Ro 5-0831 benazide isocarboxyzid
|
|
| id |
CHEBI:93635
|
|
| in_subset | ||
| inchi |
InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
|
|
| inchikey |
XKFPYPQQHFEXRZ-UHFFFAOYSA-N
|
|
| label |
5-methyl-N'-(phenylmethyl)-3-isoxazolecarbohydrazide
|
|
| mass |
231.251
|
|
| monoisotopicmass |
231.10078
|
|
| notation |
CHEBI:93635
|
|
| prefLabel |
5-methyl-N'-(phenylmethyl)-3-isoxazolecarbohydrazide
|
|
| smiles |
CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2
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| treeView | ||
| subClassOf |
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| Mapping To | Ontology | Source |
|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_93635 | FIDEO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_93635 | BERO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_93635 | BERO | LOOM |