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CHEBI:215741 - Xylacremolide B

ChEBI IDCHEBI:215741
ChEBI NameXylacremolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32N2O5
Net Charge0
Average Mass416.518
Monoisotopic Mass416.23112
SMILESCCC[C@@H]1C[C@@H](O)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1
InChIInChI=1S/C23H32N2O5/c1-3-8-17-14-20(26)15(2)21(27)24-18(13-16-9-5-4-6-10-16)22(28)25-12-7-11-19(25)23(29)30-17/h4-6,9-10,15,17-20,26H,3,7-8,11-14H2,1-2H3,(H,24,27)/t15-,17+,18+,19-,20+/m0/s1
InChIKeyROULTEQEUXGZKW-FAJAVTLNSA-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 B (CHEBI:215741) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6S,7R,9R,12S)-3-benzyl-7-hydroxy-6-methyl-9-propyl-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione