CHEBI:203139 - Chaetomugilin H

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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 Chaetomugilin H
ChEBI ID CHEBI:203139
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H29ClO6
Net Charge 0
Average Mass 448.940
Monoisotopic Mass 448.16527
InChI InChI=1S/C24H29ClO6/c1-7-12(2)8-9-15-10-16-17(11-30-15)19-18(23(28)29-6)21(13(3)14(4)26)31-24(19,5)22(27)20(16)25/h8-14,19,26H,7H2,1-6H3/b9-8+/t12-,13+,14+,19?,24-/m0/s1
InChIKey XINDMVOXUMLKKE-VOSVUOCVSA-N
SMILES ClC1=C2C(=COC(=C2)/C=C/[C@H](CC)C)C3C(C(=O)OC)=C(O[C@@]3(C1=O)C)[C@@H]([C@H](O)C)C
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
ChEBI Ontology
Outgoing Chaetomugilin H (CHEBI:203139) is a cyclohexenones (CHEBI:48953)
IUPAC Name
methyl (6aS)-5-chloro-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9aH-uro[2,3-h]isochromene-9-carboxylate
Manual Xref Database
78436962 ChemSpider
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