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CHEBI:213761 - 6-[5-(1-carboxy-4-N-carboxylate)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one

ChEBI IDCHEBI:213761
ChEBI Name6-[5-(1-carboxy-4-N-carboxylate)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO7
Net Charge0
Average Mass405.447
Monoisotopic Mass405.17875
SMILESCOc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)NCCCC(=O)O)C(=O)OC2
InChIInChI=1S/C21H27NO7/c1-12(7-9-16(23)22-10-4-5-17(24)25)6-8-14-19(26)18-15(11-29-21(18)27)13(2)20(14)28-3/h6,26H,4-5,7-11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyWZYZXNKYQQZNNV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium bialowiezense (ncbitaxon:293381) - PubMed (29986508)
ChEBI Ontology
Outgoing Relation(s)
6-[5-(1-carboxy-4-N-carboxylate)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one (CHEBI:213761) has functional parent γ-amino acid (CHEBI:33707)
6-[5-(1-carboxy-4-N-carboxylate)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one (CHEBI:213761) is a organonitrogen compound (CHEBI:35352)
6-[5-(1-carboxy-4-N-carboxylate)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one (CHEBI:213761) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[[6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-4-methylhex-4-enoyl]amino]butanoic acid
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