EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175488 - Melleolide H

ChEBI IDCHEBI:175488
ChEBI NameMelleolide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O7
Net Charge0
Average Mass430.497
Monoisotopic Mass430.19915
SMILESCOc1cc(C)c(C(=O)OC2CC3(C)C4C(C=C(C=O)C23O)CC(C)(C)C4O)c(O)c1
InChIInChI=1S/C24H30O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,11,13,17,19-20,26-27,29H,9-10H2,1-5H3
InChIKeyNQAHWJIWYRYXFP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Melleolide H (CHEBI:175488) is a benzoate ester (CHEBI:36054)
Melleolide H (CHEBI:175488) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3-ormyl-2a,7-dihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
Manual XrefsDatabases
35014662ChemSpider
HMDB0038788HMDB