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CHEBI:175348 - 13-Hydroxydihydromelleolide

ChEBI IDCHEBI:175348
ChEBI Name13-Hydroxydihydromelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCc1cc(O)cc(O)c1C(=O)OC1CC2(C)C3CC(C)(C)CC3(O)C=C(CO)C12O
InChIInChI=1S/C23H30O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,16-17,24-26,28-29H,8-11H2,1-4H3
InChIKeyABFOJGYAILKEJB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
13-Hydroxydihydromelleolide (CHEBI:175348) is a benzoate ester (CHEBI:36054)
13-Hydroxydihydromelleolide (CHEBI:175348) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
35014321ChemSpider
HMDB0036929HMDB