CHEBI:205203 - Aigialomycin 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 Aigialomycin E
ChEBI ID CHEBI:205203
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O6
Net Charge 0
Average Mass 334.368
Monoisotopic Mass 334.14164
InChI InChI=1S/C18H22O6/c1-11-5-4-8-15(21)14(20)7-3-2-6-12-9-13(19)10-16(22)17(12)18(23)24-11/h2,4,6,8-11,14-15,19-22H,3,5,7H2,1H3/b6-2-,8-4+/t11-,14+,15-/m1/s1
InChIKey NHAQNKDEUQPSIX-FGXYAFLCSA-N
SMILES O=C1O[C@@H](CC=C[C@@H](O)[C@@H](O)CCC=CC=2C1=C(O)C=C(O)C2)C
Metabolite of Species Details
Aigialus (NCBI:txid193126) See: PubMed
ChEBI Ontology
Outgoing Aigialomycin E (CHEBI:205203) is a macrolide (CHEBI:25106)
IUPAC Name
(4R,6E,8R,9S,12Z)-8,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
Manual Xref Database
9902076 ChemSpider
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