CHEBI:214746 - Deflectin D1

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 Deflectin D1
ChEBI ID CHEBI:214746
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O5
Net Charge 0
Average Mass 400.515
Monoisotopic Mass 400.22497
InChI InChI=1S/C24H32O5/c1-5-6-7-8-9-10-11-15(2)22(26)20-21-18-14-28-16(3)12-17(18)13-19(25)24(21,4)29-23(20)27/h12-15,20-21H,5-11H2,1-4H3/t15-,20+,21-,24-/m0/s1
InChIKey VDFZZRYEMBZNOL-YYBAZUPLSA-N
SMILES O=C1C=C2C(=COC(=C2)C)[C@@H]3[C@]1(OC(=O)[C@H]3C(=O)[C@H](CCCCCCCC)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Deflectin D1 (CHEBI:214746) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(6aR,9R,9aR)-3,6a-dimethyl-9-[(2S)-2-methyldecanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione