CHEBI:216207 - Endolide B

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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 B
ChEBI ID CHEBI:216207
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34N4O7
Net Charge 0
Average Mass 538.601
Monoisotopic Mass 538.24275
InChI InChI=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
InChIKey VEZDPJCGIWZHLV-ZJZGAYNASA-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=COC=C3)CC4=COC=C4)C
Metabolite of Species Details
Stachylidium (NCBI:txid796327) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
58196520 ChemSpider
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