CHEBI:222456 - Neorustmicin C

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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 Neorustmicin C
ChEBI ID CHEBI:222456
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.471
Monoisotopic Mass 352.22497
InChI InChI=1S/C20H32O5/c1-7-17-11(2)8-12(3)18(22)13(4)9-16(21)10-14(5)19(23)15(6)20(24)25-17/h8,10-11,13,15,17-19,22-23H,7,9H2,1-6H3/b12-8+,14-10+/t11-,13-,15-,17-,18-,19-/m0/s1
InChIKey HFFNYHVDXSAHMB-TYZYUGPNSA-N
SMILES O=C1O[C@H]([C@H](C=C([C@H](O)[C@@H](C)CC(C=C([C@@H]([C@@H]1C)O)C)=O)C)C)CC
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing Neorustmicin C (CHEBI:222456) is a macrolide (CHEBI:25106)
IUPAC Name
(3S,4R,5E,9S,10R,11E,13S,14S)-14-ethyl-4,10-dihydroxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,7-dione
Manual Xref Database
78443011 ChemSpider
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