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CHEBI:204407 - Acremolide B

ChEBI IDCHEBI:204407
ChEBI NameAcremolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40N2O6
Net Charge0
Average Mass500.636
Monoisotopic Mass500.28864
SMILESCC(=O)CCCCC(C)C1CC(O)C(C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1
InChIInChI=1S/C28H40N2O6/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/h4-6,12-13,18,20,22-25,32H,7-11,14-17H2,1-3H3,(H,29,33)/t18?,20?,22-,23+,24?,25?/m1/s1
InChIKeyAOQQOEQINNPMNK-HJZYFBBOSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (18288804)
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 B (CHEBI:204407) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,12S)-3-benzyl-7-hydroxy-6-methyl-9-(7-oxooctan-2-yl)-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione
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23314409ChemSpider