CHEBI:204966 - Berkchaetoazaphilone C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Berkchaetoazaphilone C
ChEBI ID CHEBI:204966
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H36O5
Net Charge 0
Average Mass 404.547
Monoisotopic Mass 404.25627
InChI InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-19(26)15-22-21-16-29-20(12-17(2)25)13-18(21)14-23(27)24(22,3)28/h13-14,16-17,22,25,28H,4-12,15H2,1-3H3/t17-,22+,24+/m0/s1
InChIKey KWLPMOKGFOGTQX-VXWZWFMZSA-N
SMILES O=C1C=C2C(=COC(=C2)C[C@@H](O)C)[C@H]([C@]1(O)C)CC(=O)CCCCCCCCC
Metabolite of Species Details
Pleurostomaspecies (NCBI:txid2173843) See: PubMed
ChEBI Ontology
Outgoing Berkchaetoazaphilone C (CHEBI:204966) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(7R,8R)-7-hydroxy-3-[(2S)-2-hydroxypropyl]-7-methyl-8-(2-oxoundecyl)-8H-isochromen-6-one
Manual Xref Database
58911804 ChemSpider
View more database links