CHEBI:222461 - Neorustmicin B

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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 B
ChEBI ID CHEBI:222461
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O7
Net Charge 0
Average Mass 398.496
Monoisotopic Mass 398.23045
InChI InChI=1S/C21H34O7/c1-7-16-19(5,24)9-13(2)8-14(3)10-21(26-6)11-20(25,12-27-21)17(22)15(4)18(23)28-16/h9,14-16,24-25H,7-8,10-12H2,1-6H3/b13-9+/t14-,15+,16+,19-,20-,21-/m1/s1
InChIKey JLVZVGQWWZKQQV-VNTKHWCJSA-N
SMILES O=C1O[C@H]([C@](O)(C=C(C[C@@H](C)C[C@@]2(C[C@@](C([C@@H]1C)=O)(O)CO2)OC)C)C)CC
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing Neorustmicin B (CHEBI:222461) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,3S,6S,7R,8E,11R,13R)-6-ethyl-1,7-dihydroxy-13-methoxy-3,7,9,11-tetramethyl-5,14-dioxabicyclo[11.2.1]hexadec-8-ene-2,4-dione
Manual Xref Database
78443012 ChemSpider
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