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CHEBI:209247 - Saroclide A

ChEBI IDCHEBI:209247
ChEBI NameSaroclide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32N2O5
Net Charge0
Average Mass440.540
Monoisotopic Mass440.23112
SMILESCCC[C@@H]1C/C=C(\C)C(=O)CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1
InChIInChI=1S/C25H32N2O5/c1-3-8-19-13-12-17(2)22(28)16-23(29)26-20(15-18-9-5-4-6-10-18)24(30)27-14-7-11-21(27)25(31)32-19/h4-6,9-10,12,19-21H,3,7-8,11,13-16H2,1-2H3,(H,26,29)/b17-12+/t19-,20-,21+/m1/s1
InChIKeyYSNFMBLAIYADSY-CUXCDPHNSA-N
Species of MetaboliteComponentSourceComments
Sarocladium (ncbitaxon:284134) - PubMed (29498850)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Saroclide A (CHEBI:209247) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,8E,11R,14S)-3-benzyl-8-methyl-11-propyl-12-oxa-1,4-diazabicyclo[12.3.0]heptadec-8-ene-2,5,7,13-tetrone
Manual XrefsDatabases
65323279ChemSpider