CHEBI:215741 - Xylacremolide 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 Xylacremolide B
ChEBI ID CHEBI:215741
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32N2O5
Net Charge 0
Average Mass 416.518
Monoisotopic Mass 416.23112
InChI InChI=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
InChIKey ROULTEQEUXGZKW-FAJAVTLNSA-N
SMILES O=C1N2[C@H](C(=O)O[C@@H](C[C@H]([C@@H](C(N[C@@H]1CC3=CC=CC=C3)=O)C)O)CCC)CCC2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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