CHEBI:149668 - 14-deacetyl astellolide B

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 14-deacetyl astellolide B
ChEBI ID CHEBI:149668
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C24H28O8
Net Charge 0
Average Mass 444.480
Monoisotopic Mass 444.17842
InChI InChI=1S/C24H28O8/c1-14(26)31-13-24-9-3-8-23(2,12-25)20(24)19(10-17-18(24)11-30-22(17)29)32-21(28)15-4-6-16(27)7-5-15/h4-7,19-20,25,27H,3,8-13H2,1-2H3/t19-,20+,23-,24+/m1/s1
InChIKey OSJNWDRTTGIQSH-JDBUVZGPSA-N
SMILES [C@@]12(C3=C(C[C@H]([C@]2([C@](CCC1)(CO)C)[H])OC(=O)C4=CC=C(C=C4)O)C(OC3)=O)COC(=O)C
ChEBI Ontology
Outgoing 14-deacetyl astellolide B (CHEBI:149668) is a naphthofuran (CHEBI:39270)
Synonym Source
14-deacetyl astellolide B UniProt
Citation Waiting for Citations Type Source
27628599 PubMed citation SUBMITTER