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CHEBI:215734 - Xylacremolide A

ChEBI IDCHEBI:215734
ChEBI NameXylacremolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N2O5
Net Charge0
Average Mass402.491
Monoisotopic Mass402.21547
SMILESCCC[C@@H]1C[C@@H](O)CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1
InChIInChI=1S/C22H30N2O5/c1-2-7-17-13-16(25)14-20(26)23-18(12-15-8-4-3-5-9-15)21(27)24-11-6-10-19(24)22(28)29-17/h3-5,8-9,16-19,25H,2,6-7,10-14H2,1H3,(H,23,26)/t16-,17-,18-,19+/m1/s1
InChIKeyQTGSTGVMEHOTJG-MKXGPGLRSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xylacremolide A (CHEBI:215734) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,7R,9R,12S)-3-benzyl-7-hydroxy-9-propyl-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione