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CHEBI:222614 - 6'-chloromelleolide F

ChEBI IDCHEBI:222614
ChEBI Name6'-chloromelleolide F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO6
Net Charge0
Average Mass436.932
Monoisotopic Mass436.16527
SMILESCc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(CO)[C@]12O
InChIInChI=1S/C23H29ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1
InChIKeyNSKSXJALDJPPSI-PPUVGZBRSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - PubMed (24906293)
ChEBI Ontology
Outgoing Relation(s)
6'-chloromelleolide F (CHEBI:222614) is a benzoate ester (CHEBI:36054)
6'-chloromelleolide F (CHEBI:222614) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,7aS,7bR)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate
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78442058ChemSpider