CHEBI:224985 - Chaetomugilin M

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ChEBI Name Chaetomugilin M
ChEBI ID CHEBI:224985
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27ClO7
Net Charge 0
Average Mass 450.910
Monoisotopic Mass 450.14453
InChI InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-30-14)18-17(20(27)11(2)13(4)26)22(29)31-23(18,5)21(28)19(15)24/h6-13,17-18,25-26H,1-5H3/b7-6+/t10-,11-,12-,13-,17-,18-,23+/m1/s1
InChIKey MEPQPODJTXSHEP-MGAKCBRVSA-N
SMILES ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@@H]3[C@H](C(=O)[C@@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: DOI
ChEBI Ontology
Outgoing Chaetomugilin M (CHEBI:224985) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(6aS,9R,9aS)-5-chloro-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual Xref Database
27024231 ChemSpider
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