CHEBI:206078 - Endolide D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Endolide D
ChEBI ID CHEBI:206078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36N4O6
Net Charge 0
Average Mass 548.640
Monoisotopic Mass 548.26348
InChI InChI=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
InChIKey AJCBJCMHGIPZHI-CQJMVLFOSA-N
SMILES O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1C(C)C)=O)CC2=COC=C2)C)CC3=CC=CC=C3)CC4=COC=C4)C
Metabolite of Species Details
Stachylidium (NCBI:txid796327) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
60596774 ChemSpider
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