EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203797 - Verruculide B

ChEBI IDCHEBI:203797
ChEBI NameVerruculide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O6
Net Charge0
Average Mass432.557
Monoisotopic Mass432.25119
SMILESCC(=CCc1c(O)cc(O)c2c1C[C@@H](C)OC2=O)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C25H36O6/c1-15(7-6-8-16(2)10-12-22(28)25(4,5)30)9-11-18-19-13-17(3)31-24(29)23(19)21(27)14-20(18)26/h8-9,14,17,22,26-28,30H,6-7,10-13H2,1-5H3/t17-,22?/m1/s1
InChIKeyCBQSQQCAFNEQFL-PLEWWHCXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26115570)
ChEBI Ontology
Outgoing Relation(s)
Verruculide B (CHEBI:203797) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3R)-5-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one