CHEBI:210440 - Cohaerin K

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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 K
ChEBI ID CHEBI:210440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O5
Net Charge 0
Average Mass 438.564
Monoisotopic Mass 438.24062
InChI InChI=1S/C27H34O5/c1-5-6-7-8-10-17(2)23(29)15-21-20-16-32-24(26-18(3)11-9-12-22(26)28)13-19(20)14-25(30)27(21,4)31/h9,11-14,16-17,21,28,31H,5-8,10,15H2,1-4H3/t17-,21-,27+/m0/s1
InChIKey BYXAPCXRCDLMIZ-SJQPRBQBSA-N
SMILES O=C1C=C2C(=COC(=C2)C3=C(O)C=CC=C3C)[C@@H]([C@]1(O)C)CC(=O)[C@H](CCCCCC)C
Metabolite of Species Details
Annulohypoxylon cohaerens (NCBI:txid326618) See: PubMed
ChEBI Ontology
Outgoing Cohaerin K (CHEBI:210440) is a hydroxytoluene (CHEBI:24751)
IUPAC Name
(7R,8S)-7-hydroxy-3-(2-hydroxy-6-methylphenyl)-7-methyl-8-[(3S)-3-methyl-2-oxononyl]-8H-isochromen-6-one
Manual Xref Database
78443428 ChemSpider
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