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CHEBI:202829 - Chaetomugilide A

ChEBI IDCHEBI:202829
ChEBI NameChaetomugilide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30ClNO6
Net Charge0
Average Mass499.991
Monoisotopic Mass499.17617
SMILESCC=C(C)C(=O)C1=C2C3=CN(CCCC(=O)O)C(C=C[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C27H30ClNO6/c1-6-15(3)10-11-17-13-18-19(14-29(17)12-8-9-20(30)31)22-21(24(32)16(4)7-2)26(34)35-27(22,5)25(33)23(18)28/h7,10-11,13-15H,6,8-9,12H2,1-5H3,(H,30,31)/t15-,27-/m0/s1
InChIKeySRHMVVABWPFZIM-QZXCRCNTSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (23562244)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilide A (CHEBI:202829) is a isoquinolines (CHEBI:24922)
IUPAC Name 
4-[(6aS)-5-chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-enyl]-6,8-dioxouro[2,3-h]isoquinolin-2-yl]butanoic acid
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78440913ChemSpider