EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207478 - Graphostromol B

ChEBI IDCHEBI:207478
ChEBI NameGraphostromol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCC(=O)OCC(C)(C)C(=O)CC(O)/C=C/C=C/C(C)(C)[C@H](C)O
InChIInChI=1S/C18H30O5/c1-13(19)17(3,4)10-8-7-9-15(21)11-16(22)18(5,6)12-23-14(2)20/h7-10,13,15,19,21H,11-12H2,1-6H3/b9-7+,10-8+/t13-,15?/m0/s1
InChIKeyAXDICNFRLXYFCS-QLHWVNKCSA-N
Species of MetaboliteComponentSourceComments
Graphostromaspecies (ncbitaxon:1933438) - PubMed (31368179)
ChEBI Ontology
Outgoing Relation(s)
Graphostromol B (CHEBI:207478) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(6E,8E,11S)-5,11-dihydroxy-2,2,10,10-tetramethyl-3-oxododeca-6,8-dienyl] acetate
Manual XrefsDatabases
81360840ChemSpider