CHEBI:199717 - Cohaerin G

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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 G
ChEBI ID CHEBI:199717
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H36O7
Net Charge 0
Average Mass 484.589
Monoisotopic Mass 484.24610
InChI InChI=1S/C28H36O7/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/h11-12,14-16,18,23-25,29H,5-10,13H2,1-4H3/t15-,16+,18-,23-,24-,25+,28-/m0/s1
InChIKey UXVBLOOVEHJYRA-OQNBJDIRSA-N
SMILES O=C1C=C2C(=COC(=C2)[C@@H]3C(=O)C[C@@H](O)C[C@H]3C)[C@H]4[C@]1(OC(=O)[C@@H]4C(=O)[C@H](CCCCCC)C)C
Metabolite of Species Details
Annulohypoxylon cohaerens (NCBI:txid326618) See: PubMed
ChEBI Ontology
Outgoing Cohaerin G (CHEBI:199717) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(6aR,9S,9aS)-3-[(1R,2R,4S)-4-hydroxy-2-methyl-6-oxocyclohexyl]-6a-methyl-9-[(2S)-2-methyloctanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual Xref Database
78443372 ChemSpider
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