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CHEBI:223494 - Boletocrocin D

ChEBI IDCHEBI:223494
ChEBI NameBoletocrocin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30N2O8
Net Charge0
Average Mass474.510
Monoisotopic Mass474.20022
SMILESCC[C@H](C)[C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C24H30N2O8/c1-3-17(2)22(24(33)34)26-20(28)15-13-11-9-7-5-4-6-8-10-12-14-19(27)25-18(23(31)32)16-21(29)30/h4-15,17-18,22H,3,16H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,33,34)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+/t17-,18-,22-/m0/s1
InChIKeyUTCVZSMZWWEEHT-JRMCZIJISA-N
Species of MetaboliteComponentSourceComments
Crocinoboletus laetissimus (ncbitaxon:1522523) - DOI (10.1016/s0031-9422(98)00319-7)
ChEBI Ontology
Outgoing Relation(s)
Boletocrocin D (CHEBI:223494) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S)-2-[[(2E,4E,6E,8E,10E,12E)-14-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-14-oxotetradeca-2,4,6,8,10,12-hexaenoyl]amino]butanedioic acid
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