CHEBI:220223 - Aigialomycin A

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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 Aigialomycin A
ChEBI ID CHEBI:220223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22O8
Net Charge 0
Average Mass 378.377
Monoisotopic Mass 378.13147
InChI InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3+/t9-,14-,15+,17+,18+/m0/s1
InChIKey SSNQAUBBJYCSMY-FZVFXEOBSA-N
SMILES O=C1O[C@H](CC=CC(=O)[C@@H](O)[C@H](C[C@@H]2[C@@H](C=3C1=C(O)C=C(OC)C3)O2)O)C
Metabolite of Species Details
Aigialus (NCBI:txid193126) See: PubMed
ChEBI Ontology
Outgoing Aigialomycin A (CHEBI:220223) is a macrolide (CHEBI:25106)
Aigialomycin A (CHEBI:220223) is a resorcinols (CHEBI:33572)
IUPAC Name
(2R,4R,6S,7S,9E,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
Manual Xref Database
10242997 ChemSpider
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