CHEBI:204116 - Cohaerin D

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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 D
ChEBI ID CHEBI:204116
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O7
Net Charge 0
Average Mass 480.557
Monoisotopic Mass 480.21480
InChI InChI=1S/C28H32O7/c1-5-6-7-8-9-15(2)26(32)24-25-19-14-34-21(23-16(3)10-18(29)13-20(23)30)11-17(19)12-22(31)28(25,4)35-27(24)33/h11-12,14-15,18,29H,5-10,13H2,1-4H3/t15?,18?,28-/m0/s1
InChIKey LFNOEQKIIMCRRH-JNTJAGMPSA-N
SMILES O=C1C=C2C(=COC(=C2)C=3C(=O)CC(O)CC3C)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 D (CHEBI:204116) is a polyketide (CHEBI:26188)
IUPAC Name
(6aR)-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-6a-methyl-9-(2-methyloctanoyl)uro[2,3-h]isochromene-6,8-dione
Manual Xref Database
9844926 ChemSpider
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