CHEBI:206431 - Cohaerin F

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ChEBI Name Cohaerin F
ChEBI ID CHEBI:206431
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O6
Net Charge 0
Average Mass 456.579
Monoisotopic Mass 456.25119
InChI InChI=1S/C27H36O6/c1-5-6-7-8-9-16(2)22(29)14-21-20-15-33-24(11-18(20)12-25(31)27(21,4)32)26-17(3)10-19(28)13-23(26)30/h11-12,15-16,19,21,28,32H,5-10,13-14H2,1-4H3/t16?,19?,21-,27-/m1/s1
InChIKey MDZAMUBMPBLGAO-MMMYSLHOSA-N
SMILES O=C1C=C2C(=COC(=C2)C=3C(=O)CC(O)CC3C)[C@H]([C@]1(O)C)CC(=O)C(CCCCCC)C
Metabolite of Species Details
Annulohypoxylon cohaerens (NCBI:txid326618) See: DOI
ChEBI Ontology
Outgoing Cohaerin F (CHEBI:206431) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(7R,8R)-7-hydroxy-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-8-(3-methyl-2-oxononyl)-8H-isochromen-6-one
Manual Xref Database
9865793 ChemSpider
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