CHEBI:149667 - 14-deacetyl astellolide A

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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 14-deacetyl astellolide A
ChEBI ID CHEBI:149667
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information ChemicalBook:CB0745383, eMolecules:530569, ZINC000038141428
Download Molfile XML SDF
Formula C24H28O7
Net Charge 0
Average Mass 428.481
Monoisotopic Mass 428.18350
InChI InChI=1S/C24H28O7/c1-15(26)30-14-24-10-6-9-23(2,13-25)20(24)19(11-17-18(24)12-29-22(17)28)31-21(27)16-7-4-3-5-8-16/h3-5,7-8,19-20,25H,6,9-14H2,1-2H3/t19-,20+,23-,24+/m1/s1
InChIKey KONJWLJZLZTFSK-JDBUVZGPSA-N
SMILES [C@@]12(C3=C(C[C@H]([C@]2([C@](CCC1)(CO)C)[H])OC(=O)C4=CC=CC=C4)C(OC3)=O)COC(=O)C
ChEBI Ontology
Outgoing 14-deacetyl astellolide A (CHEBI:149667) is a naphthofuran (CHEBI:39270)
Synonym Source
14-deacetyl astellolide A UniProt
Citation Waiting for Citations Type Source
27628599 PubMed citation SUBMITTER