EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213399 - Mutadione C

ChEBI IDCHEBI:213399
ChEBI NameMutadione C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H66O7
Net Charge0
Average Mass707.005
Monoisotopic Mass706.48085
SMILESCCCCC/C=C\C/C=C\CCCCCCCc1c(O)c(O)cc2c1[C@@]1(C(=O)O2)C(=O)C(O)=C(CCCCCCCCCCCCCCC)C1=O
InChIInChI=1S/C44H66O7/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-34-38-37(33-36(45)39(34)46)51-43(50)44(38)41(48)35(40(47)42(44)49)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,33,45-47H,3-10,12,14-16,19-32H2,1-2H3/b13-11-,18-17-/t44-/m0/s1
InChIKeyRSNREMZVVGQMEH-GAFXFFLWSA-N
Species of MetaboliteComponentSourceComments
Hapalopilus mutans (ncbitaxon:114825) - DOI (10.1002/(sici)1099-0690(199905)1999:5<1051::aid-ejoc1051>3.0.co;2-9)
ChEBI Ontology
Outgoing Relation(s)
Mutadione C (CHEBI:213399) is a benzofurans (CHEBI:35259)
IUPAC Name 
4-[(8Z,11Z)-heptadeca-8,11-dienyl]-4',5,6-trihydroxy-5'-pentadecylspiro[1-benzouran-3,2'-cyclopent-4-ene]-1',2,3'-trione
Manual XrefsDatabases
8898799ChemSpider