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CHEBI:225162 - Ro09-1545

ChEBI IDCHEBI:225162
ChEBI NameRo09-1545
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H37NO5
Net Charge0
Average Mass407.551
Monoisotopic Mass407.26717
SMILESCCC/C=C/C=C/C=C(\C)C1OCC(C)C(OC)C1OC(=O)CNCCC(C)=O
InChIInChI=1S/C23H37NO5/c1-6-7-8-9-10-11-12-17(2)22-23(21(27-5)18(3)16-28-22)29-20(26)15-24-14-13-19(4)25/h8-12,18,21-24H,6-7,13-16H2,1-5H3/b9-8+,11-10+,17-12+
InChIKeyBOYFZZPSPLCJTI-HCXQFENRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (1556006)
ChEBI Ontology
Outgoing Relation(s)
Ro09-1545 (CHEBI:225162) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-(3-oxobutylamino)acetate
Manual XrefsDatabases
78443844ChemSpider