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CHEBI:168862 - Capsicum annuum Fluorescent chlorophyll catabolite

ChEBI IDCHEBI:168862
ChEBI NameCapsicum annuum Fluorescent chlorophyll catabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H40N4O7
Net Charge0
Average Mass628.726
Monoisotopic Mass628.28970
SMILESC=CC1=C(C)C(CC2=N/C(=C3\c4nc(Cc5nc(C=O)c(C)c5CC)c(C)c4C(=O)C3C(=O)OC)C(CCC(=O)O)C2C)NC1=O
InChIInChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-
InChIKeyULSSSZOYSMVFIJ-YCNYHXFESA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Capsicum annuum Fluorescent chlorophyll catabolite (CHEBI:168862) is a tetrapyrrole (CHEBI:26932)
IUPAC Name 
3-[(2Z)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[2-[(3-ethyl-5-ormyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydropyrrol-3-yl]propanoic acid
Manual XrefsDatabases
HMDB0035528HMDB
35013949ChemSpider