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CHEBI:219738 - Corallopyronin B

ChEBI IDCHEBI:219738
ChEBI NameCorallopyronin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H43NO7
Net Charge0
Average Mass541.685
Monoisotopic Mass541.30395
SMILESCC/C=C/C/C=C(/C)C(O)CC/C(C)=C/C=C(\C)C(=O)c1c(O)cc(C(C)CC/C=C/NC(=O)OC)oc1=O
InChIInChI=1S/C31H43NO7/c1-7-8-9-10-13-22(3)25(33)18-16-21(2)15-17-24(5)29(35)28-26(34)20-27(39-30(28)36)23(4)14-11-12-19-32-31(37)38-6/h8-9,12-13,15,17,19-20,23,25,33-34H,7,10-11,14,16,18H2,1-6H3,(H,32,37)/b9-8+,19-12+,21-15+,22-13-,24-17+
InChIKeyXWTHWSMCSBXZRJ-YWHKOHTISA-N
Species of MetaboliteComponentSourceComments
Corallococcus (ncbitaxon:83461) - PubMed (2581926)
ChEBI Ontology
Outgoing Relation(s)
Corallopyronin B (CHEBI:219738) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl N-[(E)-5-[4-hydroxy-5-[(2E,4E,9Z,12E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,12-tetraenoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate