EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201768 - Corallopyronin C

ChEBI IDCHEBI:201768
ChEBI NameCorallopyronin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41NO7
Net Charge0
Average Mass527.658
Monoisotopic Mass527.28830
SMILESC/C=C/C/C=C(/C)C1CCC(C)(/C=C/C(C)C(=O)c2c(O)cc(C(C)CC/C=C/NC(=O)OC)oc2=O)O1
InChIInChI=1S/C30H41NO7/c1-7-8-9-12-20(2)24-15-17-30(5,38-24)16-14-22(4)27(33)26-23(32)19-25(37-28(26)34)21(3)13-10-11-18-31-29(35)36-6/h7-8,11-12,14,16,18-19,21-22,24,32H,9-10,13,15,17H2,1-6H3,(H,31,35)/b8-7+,16-14+,18-11+,20-12-
InChIKeyZTCOKVIQHYOAFI-YPAQVYEJSA-N
Species of MetaboliteComponentSourceComments
Corallococcus (ncbitaxon:83461) - PubMed (2581926)
ChEBI Ontology
Outgoing Relation(s)
Corallopyronin C (CHEBI:201768) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl N-[(E)-5-[5-[(E)-4-[5-[(2Z,5E)-hepta-2,5-dien-2-yl]-2-methyloxolan-2-yl]-2-methylbut-3-enoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate
Manual XrefsDatabases
78443986ChemSpider