EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209113 - Tropolactone D

ChEBI IDCHEBI:209113
ChEBI NameTropolactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O7
Net Charge0
Average Mass460.567
Monoisotopic Mass460.24610
SMILESCOC(=O)C1=C(C)[C@]2(C)C[C@H]3[C@@]4(C)[C@H](O)CC(=O)OC(C)(C)[C@@H]4CC[C@]3(C)OC2=C(C)C1=O
InChIInChI=1S/C26H36O7/c1-13-20(29)19(22(30)31-8)14(2)24(5)12-16-25(6,33-21(13)24)10-9-15-23(3,4)32-18(28)11-17(27)26(15,16)7/h15-17,27H,9-12H2,1-8H3/t15-,16+,17+,24-,25-,26-/m0/s1
InChIKeyFVVVFFAEUUPXEB-VCQHOALXSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (16500687)
ChEBI Ontology
Outgoing Relation(s)
Tropolactone D (CHEBI:209113) is a lactone (CHEBI:25000)
IUPAC Name 
methyl (1R,5aR,7aS,12aS,13aS,13bS)-1-hydroxy-5,5,7a,9,12,12a,13b-heptamethyl-3,10-dioxo-2,5a,6,7,13,13a-hexahydro-1H-oxepino[4,3-a]xanthene-11-carboxylate
Manual XrefsDatabases
10481559ChemSpider