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CHEBI:199006 - Chaetomugilin I

ChEBI IDCHEBI:199006
ChEBI NameChaetomugilin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27ClO5
Net Charge0
Average Mass406.906
Monoisotopic Mass406.15470
SMILESC/C=C(\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/C22H27ClO5/c1-6-12(2)19(25)10-18-17-11-28-15(8-7-13(3)14(4)24)9-16(17)20(23)21(26)22(18,5)27/h6-9,11,13-14,18,24,27H,10H2,1-5H3/b8-7+,12-6+/t13-,14-,18+,22+/m1/s1
InChIKeyBYFBAJVBSPNIFS-YJTDBNEFSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - DOI (10.1016/j.tet.2009.06.125)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin I (CHEBI:199006) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7S,8S)-5-chloro-7-hydroxy-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-7-methyl-8-[(E)-3-methyl-2-oxopent-3-enyl]-8H-isochromen-6-one
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26607402ChemSpider