CHEBI:211058 - Chaetomugilin P

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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 P
ChEBI ID CHEBI:211058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H27ClO5
Net Charge 0
Average Mass 406.900
Monoisotopic Mass 406.15470
InChI InChI=1S/C22H27ClO5/c1-6-19(23)21(26)22(5,27)18-10-20(25)13(3)16-9-15(28-11-17(16)18)8-7-12(2)14(4)24/h6-9,11-12,14,18,24,27H,10H2,1-5H3/b8-7+,19-6-/t12-,14-,18+,22+/m1/s1
InChIKey KLMQRLLJGPIKJE-NCZDROTISA-N
SMILES Cl/C(/C(=O)[C@@](O)([C@@H]1C=2C(=C(C)C(C1)=O)C=C(/C=C/[C@H]([C@H](O)C)C)OC2)C)=C\C
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
ChEBI Ontology
Outgoing Chaetomugilin P (CHEBI:211058) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(8S)-8-[(Z,2S)-4-chloro-2-hydroxy-3-oxohex-4-en-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-5-methyl-7,8-dihydroisochromen-6-one
Manual Xref Database
26607340 ChemSpider
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