CHEBI:215819 - Pestalamine A

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ChEBI Name Pestalamine A
ChEBI ID CHEBI:215819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H25NO6
Net Charge 0
Average Mass 387.432
Monoisotopic Mass 387.16819
InChI InChI=1S/C21H25NO6/c1-3-4-12-27-21(25)19-15(7-5-8-16(19)22)10-11-17(23)14(2)28-20(24)18-9-6-13-26-18/h5-11,13-14,17,23H,3-4,12,22H2,1-2H3/b11-10-/t14-,17-/m1/s1
InChIKey OQSXRPBCVKZSHQ-JGYUQMGLSA-N
SMILES O=C(OCCCC)C1=C(N)C=CC=C1/C=C\[C@@H](O)[C@H](OC(=O)C=2OC=CC2)C
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: DOI
ChEBI Ontology
Outgoing Pestalamine A (CHEBI:215819) is a benzoate ester (CHEBI:36054)
IUPAC Name
[(Z,2R,3R)-5-(3-amino-2-butoxycarbonylphenyl)-3-hydroxypent-4-en-2-yl] uran-2-carboxylate
Manual Xref Database
78438096 ChemSpider
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