CHEBI:177049 - Hydroxybutorphanol

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ChEBI Name Hydroxybutorphanol
ChEBI ID CHEBI:177049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H29NO3
Net Charge 0
Average Mass 343.467
Monoisotopic Mass 343.21474
InChI InChI=1S/C21H29NO3/c23-16-4-3-15-11-19-21(25)6-2-1-5-20(21,18(15)12-16)7-8-22(19)13-14-9-17(24)10-14/h3-4,12,14,17,19,23-25H,1-2,5-11,13H2/t14?,17?,19-,20+,21-/m1/s1
InChIKey NCMXKIHJYUFTRL-UJKGXUCZSA-N
SMILES O[C@@]12[C@]3(CCN([C@@]1(CC4=C3C=C(O)C=C4)[H])CC5CC(O)C5)CCCC2
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
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ChEBI Ontology
Outgoing Hydroxybutorphanol (CHEBI:177049) is a phenanthrenes (CHEBI:25961)
IUPAC Name
(1S,9R,10S)-17-[(3-hydroxycyclobutyl)methyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol