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CHEBI:206078 - Endolide D

ChEBI IDCHEBI:206078
ChEBI NameEndolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36N4O6
Net Charge0
Average Mass548.640
Monoisotopic Mass548.26348
SMILESCC(C)[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O
InChIInChI=1S/C30H36N4O6/c1-19(2)26-30(38)34(4)24(15-21-10-12-39-17-21)27(35)31-23(14-20-8-6-5-7-9-20)29(37)33(3)25(28(36)32-26)16-22-11-13-40-18-22/h5-13,17-19,23-26H,14-16H2,1-4H3,(H,31,35)(H,32,36)/t23-,24-,25-,26-/m0/s1
InChIKeyAJCBJCMHGIPZHI-CQJMVLFOSA-N
Species of MetaboliteComponentSourceComments
Stachylidium (ncbitaxon:796327) - PubMed (27786475)
ChEBI Ontology
Outgoing Relation(s)
Endolide D (CHEBI:206078) has functional parent α-amino acid (CHEBI:33704)
Endolide D (CHEBI:206078) is a organonitrogen compound (CHEBI:35352)
Endolide D (CHEBI:206078) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-3-benzyl-6,12-bis(uran-3-ylmethyl)-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
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60596774ChemSpider