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CHEBI:208182 - N-glutarylchaetoviridin B

ChEBI IDCHEBI:208182
ChEBI NameN-glutarylchaetoviridin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30ClNO8
Net Charge0
Average Mass544.000
Monoisotopic Mass543.16599
SMILESCC=C(C)C(=O)C1=C2C3=CN([C@@H](CCC(=O)O)C(=O)O)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C28H30ClNO8/c1-6-14(3)8-9-16-12-17-18(13-30(16)19(26(35)36)10-11-20(31)32)22-21(24(33)15(4)7-2)27(37)38-28(22,5)25(34)23(17)29/h7-9,12-14,19H,6,10-11H2,1-5H3,(H,31,32)(H,35,36)/b9-8+,15-7?/t14-,19-,28-/m0/s1
InChIKeyVGRUPZJJCLCFOM-UTQILYRBSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (31035362)
ChEBI Ontology
Outgoing Relation(s)
N-glutarylchaetoviridin B (CHEBI:208182) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(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]pentanedioic acid