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CHEBI:209552 - Melleolide N

ChEBI IDCHEBI:209552
ChEBI NameMelleolide N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO6
Net Charge0
Average Mass436.932
Monoisotopic Mass436.16527
SMILESCc1c(Cl)c(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O
InChIInChI=1S/C23H29ClO6/c1-11-18(15(25)6-16(26)19(11)24)20(28)30-10-13-5-12-7-21(2,3)8-14(12)22(4)9-17(27)23(13,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1
InChIKeyLRJNLSGTPANDCI-PPUVGZBRSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - PubMed (26035099)
ChEBI Ontology
Outgoing Relation(s)
Melleolide N (CHEBI:209552) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,7aS,7bR)-2,2a-dihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-3-yl]methyl 3-chloro-4,6-dihydroxy-2-methylbenzoate
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78441089ChemSpider