EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211047 - (2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione

ChEBI IDCHEBI:211047
ChEBI Name(2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCOc1cc(O)c2c(c1)[C@H]1O[C@@H]1CCCC(=O)CCC[C@H](C)OC2=O
InChIInChI=1S/C19H24O6/c1-11-5-3-6-12(20)7-4-8-16-18(25-16)14-9-13(23-2)10-15(21)17(14)19(22)24-11/h9-11,16,18,21H,3-8H2,1-2H3/t11-,16+,18+/m0/s1
InChIKeyCIKHROSWJUFMED-LIXBPZJASA-N
Species of MetaboliteComponentSourceComments
Hypomyces (ncbitaxon:5130) - PubMed (17067161)
ChEBI Ontology
Outgoing Relation(s)
(2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione (CHEBI:211047) is a macrolide (CHEBI:25106)
(2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione (CHEBI:211047) is a resorcinols (CHEBI:33572)
IUPAC Name 
(2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione
Manual XrefsDatabases
17250182ChemSpider