CHEBI:203994 - Cohaerin 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 Cohaerin E
ChEBI ID CHEBI:203994
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30O6
Net Charge 0
Average Mass 462.542
Monoisotopic Mass 462.20424
InChI InChI=1S/C28H30O6/c1-5-6-7-8-10-17(3)26(31)24-25-19-15-33-21(23-16(2)11-9-12-20(23)29)13-18(19)14-22(30)28(25,4)34-27(24)32/h9,11-15,17,29H,5-8,10H2,1-4H3/t17?,28-/m0/s1
InChIKey BNPNEDGQFYVZTE-SNCIIYAQSA-N
SMILES O=C1C=C2C(=COC(=C2)C3=C(O)C=CC=C3C)C=4[C@]1(OC(=O)C4C(=O)C(CCCCCC)C)C
Metabolite of Species Details
Annulohypoxylon cohaerens (NCBI:txid326618) See: DOI
ChEBI Ontology
Outgoing Cohaerin E (CHEBI:203994) is a polyketide (CHEBI:26188)
IUPAC Name
(6aR)-3-(2-hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)uro[2,3-h]isochromene-6,8-dione
Manual Xref Database
9794329 ChemSpider
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