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CHEBI:226754 - Umezawamide B

ChEBI IDCHEBI:226754
ChEBI NameUmezawamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O6
Net Charge0
Average Mass512.647
Monoisotopic Mass512.28864
SMILESCCC1C[C@@H]2C[C@H]3/C=C\C=C\C(=O)NCC[C@H](O)[C@@H]4NC(=O)C(=C(O)/C=C/CC[C@H](O)[C@H]3[C@@H]2[C@H]1C)C4=O
InChIInChI=1S/C29H40N2O6/c1-3-17-14-19-15-18-8-4-7-11-23(35)30-13-12-22(34)27-28(36)26(29(37)31-27)21(33)10-6-5-9-20(32)25(18)24(19)16(17)2/h4,6-8,10-11,16-20,22,24-25,27,32-34H,3,5,9,12-15H2,1-2H3,(H,30,35)(H,31,37)/b8-4-,10-6+,11-7+,26-21?/t16-,17?,18+,19+,20-,22-,24+,25-,27-/m0/s1
InChIKeyUYJPGMJKMZVTJY-QMUBKITBSA-N
ChEBI Ontology
Outgoing Relation(s)
Umezawamide B (CHEBI:226754) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3E,7S,8R,9S,10S,13R,15S,16Z,18E,24S,25S)-11-ethyl-2,7,24-trihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,16,18-tetraene-20,27,28-trione