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CHEBI:227301 - (+)-pestaloxazine A

ChEBI IDCHEBI:227301
ChEBI Name(+)-pestaloxazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N4O8
Net Charge0
Average Mass480.518
Monoisotopic Mass480.22201
SMILESC/C(=C\C(=O)N1CCC[C@@]2(NC(=O)[C@]3(CCCN(C(=O)/C=C(\C)CCO)O3)NC2=O)O1)CCO
InChIInChI=1S/C22H32N4O8/c1-15(5-11-27)13-17(29)25-9-3-7-21(33-25)19(31)24-22(20(32)23-21)8-4-10-26(34-22)18(30)14-16(2)6-12-28/h13-14,27-28H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+/t21-,22-/m1/s1
InChIKeyULBZDTAPWSWKLY-UDVIYJLQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (26291636)
ChEBI Ontology
Outgoing Relation(s)
(+)-pestaloxazine A (CHEBI:227301) has functional parent α-amino acid (CHEBI:33704)
(+)-pestaloxazine A (CHEBI:227301) is a organonitrogen compound (CHEBI:35352)
(+)-pestaloxazine A (CHEBI:227301) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(6R,9R)-4,13-bis[(E)-5-hydroxy-3-methylpent-2-enoyl]-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadecane-7,15-dione
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40256543ChemSpider