CHEBI:206338 - Macrolactin E

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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 Macrolactin E
ChEBI ID CHEBI:206338
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O5
Net Charge 0
Average Mass 400.515
Monoisotopic Mass 400.22497
InChI InChI=1S/C24H32O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-21,23,25,27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-/t20-,21-,23+/m1/s1
InChIKey SFYNFGJVYUKJLQ-OREVBMFVSA-N
SMILES O=C1O[C@@H](CCCC=CC=CC(=O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O)C
ChEBI Ontology
Outgoing Macrolactin E (CHEBI:206338) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5E,8S,9E,11Z,14S,17E,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaene-2,16-dione
Manual Xref Database
9179098 ChemSpider
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