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CHEBI:216207 - Endolide B

ChEBI IDCHEBI:216207
ChEBI NameEndolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N4O7
Net Charge0
Average Mass538.601
Monoisotopic Mass538.24275
SMILESCC(C)[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](Cc2ccoc2)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O
InChIInChI=1S/C28H34N4O7/c1-17(2)24-28(36)32(4)22(12-19-6-9-38-15-19)25(33)29-21(11-18-5-8-37-14-18)27(35)31(3)23(26(34)30-24)13-20-7-10-39-16-20/h5-10,14-17,21-24H,11-13H2,1-4H3,(H,29,33)(H,30,34)/t21-,22-,23-,24-/m0/s1
InChIKeyVEZDPJCGIWZHLV-ZJZGAYNASA-N
Species of MetaboliteComponentSourceComments
Stachylidium (ncbitaxon:796327) - PubMed (26771858)
ChEBI Ontology
Outgoing Relation(s)
Endolide B (CHEBI:216207) has functional parent α-amino acid (CHEBI:33704)
Endolide B (CHEBI:216207) is a organonitrogen compound (CHEBI:35352)
Endolide B (CHEBI:216207) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-3,6,12-tris(uran-3-ylmethyl)-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Manual XrefsDatabases
58196520ChemSpider