CHEBI:225154 - Seco-Chaetomugilin D

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 Seco-Chaetomugilin D
ChEBI ID CHEBI:225154
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H31ClO7
Net Charge 0
Average Mass 466.960
Monoisotopic Mass 466.17583
InChI InChI=1S/C24H31ClO7/c1-7-12(2)8-9-15-10-16-17(11-31-15)18-19(22(28)30-6)24(29,13(3)14(4)26)32-23(18,5)21(27)20(16)25/h8-14,18-19,26,29H,7H2,1-6H3/b9-8+/t12-,13+,14+,18+,19-,23-,24+/m0/s1
InChIKey YNPCOGQBGAEJQN-OPLDBLFRSA-N
SMILES ClC1=C2C(=COC(=C2)/C=C/[C@H](CC)C)[C@@H]3[C@@H](C(=O)OC)[C@@](O[C@@]3(C1=O)C)(O)[C@@H]([C@H](O)C)C
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
ChEBI Ontology
Outgoing Seco-Chaetomugilin D (CHEBI:225154) is a cyclohexenones (CHEBI:48953)
IUPAC Name
methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9,9a-dihydrouro[2,3-h]isochromene-9-carboxylate
Manual Xref Database
27024736 ChemSpider
View more database links