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CHEBI:198817 - Pyxipyrrolone A

ChEBI IDCHEBI:198817
ChEBI NamePyxipyrrolone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO5
Net Charge0
Average Mass481.633
Monoisotopic Mass481.28282
SMILESC=C1NC(=O)C2=C1[C@@H](C(=O)O)[C@](C)(/C(C)=C/C=C/C=C/C(C)[C@H](O)C(C)C)C1=C2[C@@H](C)[C@H](O)CC1
InChIInChI=1S/C29H39NO5/c1-15(2)26(32)16(3)11-9-8-10-12-17(4)29(7)20-13-14-21(31)18(5)22(20)24-23(25(29)28(34)35)19(6)30-27(24)33/h8-12,15-16,18,21,25-26,31-32H,6,13-14H2,1-5,7H3,(H,30,33)(H,34,35)/b10-8+,11-9+,17-12+/t16?,18-,21+,25-,26+,29+/m0/s1
InChIKeyXZVXDGKWYMFGNR-JEHWNZESSA-N
Species of MetaboliteComponentSourceComments
Pyxidicoccus (ncbitaxon:224458) - PubMed (28590072)
ChEBI Ontology
Outgoing Relation(s)
Pyxipyrrolone A (CHEBI:198817) is a isoindoles (CHEBI:24897)
IUPAC Name 
(4S,5R,8R,9R)-8-hydroxy-5-[(2E,4E,6E,9R)-9-hydroxy-8,10-dimethylundeca-2,4,6-trien-2-yl]-5,9-dimethyl-3-methylidene-1-oxo-6,7,8,9-tetrahydro-4H-benzo[e]isoindole-4-carboxylic acid
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