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CHEBI:208187 - N-glutarylchaetoviridin C

ChEBI IDCHEBI:208187
ChEBI NameN-glutarylchaetoviridin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34ClNO8
Net Charge0
Average Mass572.054
Monoisotopic Mass571.19729
SMILESCC=C(C)C(=O)C1=C2C3=CN([C@@H](CCC(=O)OC)C(=O)OC)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C30H34ClNO8/c1-8-16(3)10-11-18-14-19-20(15-32(18)21(28(36)39-7)12-13-22(33)38-6)24-23(26(34)17(4)9-2)29(37)40-30(24,5)27(35)25(19)31/h9-11,14-16,21H,8,12-13H2,1-7H3/b11-10+,17-9?/t16-,21-,30-/m0/s1
InChIKeyZDDRIPQNQXNSRC-KJESEWSRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (31035362)
ChEBI Ontology
Outgoing Relation(s)
N-glutarylchaetoviridin C (CHEBI:208187) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
dimethyl (2S)-2-[(6aS)-5-chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(E,3S)-3-methylpent-1-enyl]-6,8-dioxouro[2,3-h]isoquinolin-2-yl]pentanedioate