CHEBI:214787 - Cochliodone F

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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 Cochliodone F
ChEBI ID CHEBI:214787
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H38O14
Net Charge 0
Average Mass 694.686
Monoisotopic Mass 694.22616
InChI InChI=1S/C36H38O14/c1-19(47-17-37)9-7-11-23-13-25-27(15-45-23)31(41)35(5,49-21(3)39)33(43)29(25)30-26-14-24(12-8-10-20(2)48-18-38)46-16-28(26)32(42)36(6,34(30)44)50-22(4)40/h13-20H,7-12H2,1-6H3/t19?,20?,35-,36+
InChIKey YFVMPIKFZVJKTL-MIOBVOACSA-N
SMILES O=C1C(C2=C3C(C(=O)[C@](C2=O)(OC(=O)C)C)=COC(=C3)CCCC(OC=O)C)=C4C(=COC(=C4)CCCC(OC=O)C)C([C@@]1(OC(=O)C)C)=O
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: DOI
ChEBI Ontology
Outgoing Cochliodone F (CHEBI:214787) has functional parent tetracarboxylic acid (CHEBI:35742)
Cochliodone F (CHEBI:214787) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(7S)-5-[(7R)-7-acetyloxy-3-(4-ormyloxypentyl)-7-methyl-6,8-dioxoisochromen-5-yl]-3-(4-ormyloxypentyl)-7-methyl-6,8-dioxoisochromen-7-yl] acetate
Manual Xref Database
78442340 ChemSpider
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