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CHEBI:205253 - Precorallopyronin A

ChEBI IDCHEBI:205253
ChEBI NamePrecorallopyronin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41NO6
Net Charge0
Average Mass511.659
Monoisotopic Mass511.29339
SMILESCC=CC/C=C(/C)CCCC(C)=CC=C(C)C(=O)c1c(O)cc([C@H](C)CCC=CNC(=O)OC)oc1=O
InChIInChI=1S/C30H41NO6/c1-7-8-9-13-21(2)14-12-15-22(3)17-18-24(5)28(33)27-25(32)20-26(37-29(27)34)23(4)16-10-11-19-31-30(35)36-6/h7-8,11,13,17-20,23,32H,9-10,12,14-16H2,1-6H3,(H,31,35)/b8-7?,19-11?,21-13-,22-17?,24-18?/t23-/m1/s1
InChIKeyXBYLKVPPVUSZLM-SYCFNXJJSA-N
Species of MetaboliteComponentSourceComments
Corallococcus (ncbitaxon:83461) - PubMed (26431157)
ChEBI Ontology
Outgoing Relation(s)
Precorallopyronin A (CHEBI:205253) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl N-[(5R)-5-[4-hydroxy-6-oxo-5-[(9Z)-2,5,9-trimethyltetradeca-2,4,9,12-tetraenoyl]pyran-2-yl]hex-1-enyl]carbamate