CHEBI:224327 - Gageomacrolactin 1

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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 Gageomacrolactin 1
ChEBI ID CHEBI:224327
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O6
Net Charge 0
Average Mass 418.530
Monoisotopic Mass 418.23554
InChI InChI=1S/C24H34O6/c1-18-10-6-3-2-4-7-12-20(26)16-21(27)17-23-22(30-23)15-14-19(25)11-8-5-9-13-24(28)29-18/h2,4-5,7-9,12-15,18-23,25-27H,3,6,10-11,16-17H2,1H3/b4-2+,8-5+,12-7+,13-9-,15-14+/t18-,19+,20+,21-,22-,23+/m1/s1
InChIKey YMTVOMWYIOREGF-PDCYHRRVSA-N
SMILES O=C1O[C@@H](CCCC=CC=C[C@H](O)C[C@@H](O)C[C@H]2[C@@H](C=C[C@H](CC=CC=C1)O)O2)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing Gageomacrolactin 1 (CHEBI:224327) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2E,4S,6E,8Z,12R,16E,18E,20R,22R,24S)-4,20,22-trihydroxy-12-methyl-11,25-dioxabicyclo[22.1.0]pentacosa-2,6,8,16,18-pentaen-10-one
Manual Xref Database
31112949 ChemSpider
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