CHEBI:201097 - Aurafuron 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 Aurafuron B
ChEBI ID CHEBI:201097
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.494
Monoisotopic Mass 360.23006
InChI InChI=1S/C22H32O4/c1-15(2)13-14-17(4)20(23)16(3)11-9-7-8-10-12-19-18(5)21(24)22(6,25)26-19/h7-12,14-16,20,23,25H,13H2,1-6H3/b8-7-,11-9+,12-10+,17-14+/t16-,20-,22?/m1/s1
InChIKey CEFLFJSAQJIEGR-HCPLIJRZSA-N
SMILES O=C1C(=C(/C=C/C=C\C=C\[C@H]([C@@H](O)/C(=C/CC(C)C)/C)C)OC1(O)C)C
Metabolite of Species Details
Stigmatella aurantiaca (NCBI:txid41) See: PubMed
ChEBI Ontology
Outgoing Aurafuron B (CHEBI:201097) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
2-hydroxy-5-[(1E,3Z,5E,7R,8R,9E)-8-hydroxy-7,9,12-trimethyltrideca-1,3,5,9-tetraenyl]-2,4-dimethyluran-3-one
Manual Xref Database
9454878 ChemSpider
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