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CHEBI:189363 - Acremolide A

ChEBI IDCHEBI:189363
ChEBI NameAcremolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N2O6
Net Charge0
Average Mass502.652
Monoisotopic Mass502.30429
SMILES[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)C(O)CC(C(C)CCCCC(C)O)OC2=O
InChIInChI=1S/C28H42N2O6/c1-18(10-7-8-11-19(2)31)25-17-24(32)20(3)26(33)29-22(16-21-12-5-4-6-13-21)27(34)30-15-9-14-23(30)28(35)36-25/h4-6,12-13,18-20,22-25,31-32H,7-11,14-17H2,1-3H3,(H,29,33)/t18?,19?,20?,22-,23+,24?,25?/m1/s1
InChIKeyMKOPZQIQZWBFOD-ZISSWXNUSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acremolide A (CHEBI:189363) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,12S)-3-benzyl-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione
Manual XrefsDatabases
23314412ChemSpider