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loading...| Preferred Name |
6-Alpha Naloxol |
| Synonyms |
(4R,4aS,7S,7aR,12bS)-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-4a,7,9-triol |
| ID |
http://purl.obolibrary.org/obo/CHEBI_190533 |
| charge |
0 |
| database_cross_reference |
CAS:20410-95-1 Chemspider:4590928 |
| formula |
C19H23NO4 |
| has_exact_synonym |
(4R,4aS,7S,7aR,12bS)-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-4a,7,9-triol |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:190533 |
| in_subset | |
| inchi |
InChI=1S/C19H23NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,13-14,17,21-23H,1,5-10H2/t13-,14+,17-,18-,19+/m0/s1 |
| inchikey |
HMWHERQFMBEHNG-AQQQZIQISA-N |
| label |
6-Alpha Naloxol |
| mass |
329.396 |
| monoisotopicmass |
329.16271 |
| notation |
CHEBI:190533 |
| prefLabel |
6-Alpha Naloxol |
| smiles |
O1[C@@]2([C@]34[C@](O)([C@](N(CC3)CC=C)(CC5=C4C1=C(O)C=C5)[H])CC[C@@H]2O)[H] |
| treeView | |
| subClassOf |
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| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C023833 | Medical Subject Headings / 医学主题词表 | LOOM |