CHEBI:182239 - Antibiotic AB3217A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Antibiotic AB3217A
ChEBI ID CHEBI:182239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H23NO7
Net Charge 0
Average Mass 353.371
Monoisotopic Mass 353.14745
InChI InChI=1S/C17H23NO7/c1-22-9-4-2-8(3-5-9)15-12-16(10(19)6-18-12)25-17-14(21)13(20)11(24-17)7-23-15/h2-5,10-21H,6-7H2,1H3/t10-,11+,12+,13-,14+,15+,16+,17-/m0/s1
InChIKey CXOWUUUBWJFSRU-FKBVCAKVSA-N
SMILES O1[C@]2([C@](NC[C@@H]2O)([C@H](OC[C@]3(O[C@@]1([C@H](O)[C@H]3O)[H])[H])C4=CC=C(OC)C=C4)[H])[H]
ChEBI Ontology
Outgoing Antibiotic AB3217A (CHEBI:182239) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(1R,3S,4S,7R,8R,11R,12R,13R)-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecane-4,12,13-triol
Manual Xref Database
112342 ChemSpider
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Registry Number Type Source
139158-99-9 CAS Registry Number ChemIDplus