CHEBI:214483 - Chaephilone E

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 Chaephilone E
ChEBI ID CHEBI:214483
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31ClO6
Net Charge 0
Average Mass 438.950
Monoisotopic Mass 438.18092
InChI InChI=1S/C23H31ClO6/c1-12(14(3)25)7-8-16-9-17-18(11-29-16)19-10-23(28-6,13(2)15(4)26)30-22(19,5)21(27)20(17)24/h7-9,11-15,19,25-26H,10H2,1-6H3/b8-7+/t12-,13-,14-,15-,19+,22+,23+/m1/s1
InChIKey JKTQHBZSCNQGSN-RDDZJUFHSA-N
SMILES ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@@H]3C[C@@](O[C@@]3(C1=O)C)(OC)[C@@H]([C@H](O)C)C
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
ChEBI Ontology
Outgoing Chaephilone E (CHEBI:214483) is a ketal (CHEBI:59777)
IUPAC Name
(6aS,8S,9aS)-5-chloro-8-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-8-methoxy-6a-methyl-9,9a-dihydrouro[2,3-h]isochromen-6-one