CHEBI:182469 - Albocycline

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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 Albocycline
ChEBI ID CHEBI:182469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H28O4
Net Charge 0
Average Mass 308.418
Monoisotopic Mass 308.19876
InChI InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1
InChIKey BYWWNDLILWPPJP-REXWONOSSA-N
SMILES O1[C@@H]([C@H](CCC=C([C@@H](OC)C=C[C@@](O)(C=CC1=O)C)C)C)C
ChEBI Ontology
Outgoing Albocycline (CHEBI:182469) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
Manual Xref Database
4945205 ChemSpider
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Registry Number Type Source
25129-91-3 CAS Registry Number ChemIDplus