CHEBI:205977 - Chaetomugilin N

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ChEBI Name Chaetomugilin N
ChEBI ID CHEBI:205977
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H25ClO6
Net Charge 0
Average Mass 432.900
Monoisotopic Mass 432.13397
InChI InChI=1S/C23H25ClO6/c1-6-11(2)20(26)17-18-16-10-29-14(8-7-12(3)13(4)25)9-15(16)19(24)21(27)23(18,5)30-22(17)28/h6-10,12-13,17-18,25H,1-5H3/b8-7+,11-6+/t12-,13-,17-,18-,23+/m1/s1
InChIKey MGBUHXLTCIVHLN-MHSGSDPZSA-N
SMILES ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@@H]3[C@H](C(=O)/C(=C/C)/C)C(O[C@@]3(C1=O)C)=O
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: DOI
ChEBI Ontology
Outgoing Chaetomugilin N (CHEBI:205977) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(6aS,9R,9aS)-5-chloro-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-6a-methyl-9-[(E)-2-methylbut-2-enoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual Xref Database
27024232 ChemSpider
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