CHEBI:201090 - Berkchaetoazaphilone B

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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 Berkchaetoazaphilone B
ChEBI ID CHEBI:201090
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32O7
Net Charge 0
Average Mass 444.524
Monoisotopic Mass 444.21480
InChI InChI=1S/C25H32O7/c1-4-5-6-7-8-9-10-11-20(27)24-22(29)31-23(3)21(28)14-17-13-18(12-16(2)26)30-15-19(17)25(23,24)32-24/h13-16,26H,4-12H2,1-3H3/t16-,23-,24-,25+/m0/s1
InChIKey YEGUZQUADBNQFP-NBQXJWNKSA-N
SMILES O=C1C=C2C(=COC(=C2)C[C@@H](O)C)[C@@]34[C@]1(OC(=O)[C@]3(C(=O)CCCCCCCCC)O4)C
Metabolite of Species Details
Pleurostomaspecies (NCBI:txid2173843) See: PubMed
ChEBI Ontology
Outgoing Berkchaetoazaphilone B (CHEBI:201090) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1R,10R,13S)-13-decanoyl-5-[(2S)-2-hydroxypropyl]-10-methyl-4,11,14-trioxatetracyclo[8.4.0.01,13.02,7]tetradeca-2,5,7-triene-9,12-dione
Manual Xref Database
58910852 ChemSpider
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