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CHEBI:204060 - Exumolide B

ChEBI IDCHEBI:204060
ChEBI NameExumolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53N5O7
Net Charge0
Average Mass715.892
Monoisotopic Mass715.39450
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C40H53N5O7/c1-25(2)21-29-35(46)41-30(23-27-13-7-5-8-14-27)36(47)43-31(24-28-15-9-6-10-16-28)38(49)45-20-12-18-33(45)40(51)52-34(22-26(3)4)39(50)44-19-11-17-32(44)37(48)42-29/h5-10,13-16,25-26,29-34H,11-12,17-24H2,1-4H3,(H,41,46)(H,42,48)(H,43,47)/t29-,30-,31-,32-,33-,34-/m0/s1
InChIKeyUKNLOTSPGMNMKR-CVUOCSEZSA-N
Species of MetaboliteComponentSourceComments
Scytalidiumspecies (ncbitaxon:1715249) - DOI (10.1016/s0040-4039(98)00288-3)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Exumolide B (CHEBI:204060) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12S,15S,18S,21S)-12,15-dibenzyl-3,18-bis(2-methylpropyl)-4-oxa-1,10,13,16,19-pentazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
Manual XrefsDatabases
8803978ChemSpider