EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175349 - Melleolide E

ChEBI IDCHEBI:175349
ChEBI NameMelleolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCc1cc(O)cc(O)c1C(=O)OC1CC2(C)C3C(C=C(CO)C12O)CC(C)(C)C3O
InChIInChI=1S/C23H30O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3
InChIKeySWVWDNGFQHDELB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Melleolide E (CHEBI:175349) is a benzoate ester (CHEBI:36054)
Melleolide E (CHEBI:175349) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
HMDB0038785HMDB
35014659ChemSpider