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CHEBI:198663 - Melleolide R

ChEBI IDCHEBI:198663
ChEBI NameMelleolide R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33ClO7
Net Charge0
Average Mass468.974
Monoisotopic Mass468.19148
SMILESCOc1cc(O)c(C(=O)OC[C@@H]2[C@@H](O)[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@H](O)[C@@]23O)c(C)c1Cl
InChIInChI=1S/C24H33ClO7/c1-11-18(15(26)6-16(31-5)19(11)25)21(29)32-10-14-20(28)12-7-22(2,3)8-13(12)23(4)9-17(27)24(14,23)30/h6,12-14,17,20,26-28,30H,7-10H2,1-5H3/t12-,13+,14-,17-,20+,23-,24+/m1/s1
InChIKeyQDXBMSKCOMLNLC-DRCOUIQZSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - PubMed (26035099)
ChEBI Ontology
Outgoing Relation(s)
Melleolide R (CHEBI:198663) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(2R,2aR,3R,4S,4aR,7aS,7bR)-2,2a,4-trihydroxy-6,6,7b-trimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclobuta[e]inden-3-yl]methyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
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78440742ChemSpider