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CHEBI:201941 - 10-dehydroxymelleolide D

ChEBI IDCHEBI:201941
ChEBI Name10-dehydroxymelleolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31ClO7
Net Charge0
Average Mass466.958
Monoisotopic Mass466.17583
SMILESCOc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@]4(O)C=C(CO)[C@]23O)c(C)c1Cl
InChIInChI=1S/C24H31ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,16-17,26-27,29-30H,8-11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1
InChIKeyMTMJUSLUGGIJKC-FUVFEPFRSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - PubMed (25524590)
ChEBI Ontology
Outgoing Relation(s)
10-dehydroxymelleolide D (CHEBI:201941) is a benzoate ester (CHEBI:36054)
10-dehydroxymelleolide D (CHEBI:201941) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aR,7aR,7bR)-2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
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78436791ChemSpider