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CHEBI:212504 - Chaetomugilin Q

ChEBI IDCHEBI:212504
ChEBI NameChaetomugilin Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29ClO6
Net Charge0
Average Mass424.921
Monoisotopic Mass424.16527
SMILESC[C@H](O)[C@H](C)C(=O)C[C@H]1C2=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC2=C(Cl)C(=O)[C@@]1(C)O
InChIInChI=1S/C22H29ClO6/c1-11(13(3)24)6-7-15-8-16-17(10-29-15)18(9-19(26)12(2)14(4)25)22(5,28)21(27)20(16)23/h6-8,10-14,18,24-25,28H,9H2,1-5H3/b7-6+/t11-,12+,13-,14+,18+,22+/m1/s1
InChIKeyVWKWLVNURGSWPO-WGGDPNRLSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (21640594)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin Q (CHEBI:212504) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7S,8S)-5-chloro-7-hydroxy-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxopentyl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-7-methyl-8H-isochromen-6-one
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26607341ChemSpider