CHEBI:200653 - Aigialomycin B

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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 B
ChEBI ID CHEBI:200653
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O8
Net Charge 0
Average Mass 380.393
Monoisotopic Mass 380.14712
InChI InChI=1S/C19H24O8/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/h3,5-7,9,12,14-15,17-18,20-23H,4,8H2,1-2H3/b5-3+/t9-,12-,14-,15+,17+,18+/m0/s1
InChIKey NWBBODCXRAHUEM-AUEGCBRDSA-N
SMILES O=C1O[C@H](CC=C[C@H](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 B (CHEBI:200653) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(2R,4R,6S,7S,8S,9E,12S)-6,7,8,16-tetrahydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one
Manual Xref Database
10242998 ChemSpider
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