CHEBI:219772 - Aigialomycin C

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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 C
ChEBI ID CHEBI:219772
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O7
Net Charge 0
Average Mass 364.394
Monoisotopic Mass 364.15220
InChI InChI=1S/C19H24O7/c1-10-4-3-5-13(20)14(21)6-7-16-18(26-16)12-8-11(24-2)9-15(22)17(12)19(23)25-10/h3,5,8-10,13-14,16,18,20-22H,4,6-7H2,1-2H3/b5-3+/t10-,13-,14-,16+,18+/m0/s1
InChIKey IDIVCUJKNPAADU-UDMGXPKMSA-N
SMILES O=C1O[C@H](CC=C[C@H](O)[C@@H](O)CC[C@@H]2[C@@H](C=3C1=C(O)C=C(OC)C3)O2)C
Metabolite of Species Details
Aigialus (NCBI:txid193126) See: PubMed
ChEBI Ontology
Outgoing Aigialomycin C (CHEBI:219772) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(2R,4R,7S,8S,9E,12S)-7,8,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one
Manual Xref Database
10242999 ChemSpider
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