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CHEBI:216193 - Lilacinone

ChEBI IDCHEBI:216193
ChEBI NameLilacinone
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FormulaC22H15N3O11
Net Charge0
Average Mass497.372
Monoisotopic Mass497.07066
SMILESCOC1=C[C@@]2(OC(=O)c3c(NC4=CC(=O)C(=N)C(C(=O)O)=C4O)ccc(O)c32)C(O)=C(C(=O)O)C1=N
InChIInChI=1S/C22H15N3O11/c1-35-10-5-22(18(29)13(16(10)24)20(32)33)14-8(26)3-2-6(11(14)21(34)36-22)25-7-4-9(27)15(23)12(17(7)28)19(30)31/h2-5,23-26,28-29H,1H3,(H,30,31)(H,32,33)/t22-/m0/s1
InChIKeyLNPXUODWISKAJC-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Lactarius lilacinus (ncbitaxon:152939) - PubMed (14575448)
ChEBI Ontology
Outgoing Relation(s)
Lilacinone (CHEBI:216193) is a benzofurans (CHEBI:35259)
IUPAC Name 
4-[(5-carboxy-6-hydroxy-4-imino-3-oxocyclohexa-1,5-dien-1-yl)amino]-2',7-dihydroxy-6'-imino-5'-methoxy-3-oxospiro[2-benzouran-1,3'-cyclohexa-1,4-diene]-1'-carboxylic acid
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78434879ChemSpider