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CHEBI:226955 - 10-hydroxy-5'-methoxy-6'-chloroarmillane

ChEBI IDCHEBI:226955
ChEBI Name10-hydroxy-5'-methoxy-6'-chloroarmillane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33ClO8
Net Charge0
Average Mass484.973
Monoisotopic Mass484.18640
SMILESCOc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@@H](CC(C)(C)[C@@H]4O)[C@H](O)[C@@H](CO)[C@]23O)c(C)c1Cl
InChIInChI=1S/C24H33ClO8/c1-10-16(13(27)6-14(32-5)18(10)25)21(30)33-15-8-23(4)17-11(7-22(2,3)20(17)29)19(28)12(9-26)24(15,23)31/h6,11-12,15,17,19-20,26-29,31H,7-9H2,1-5H3/t11-,12-,15-,17-,19+,20-,23-,24+/m1/s1
InChIKeyLQTJAFFCCNXSBS-BMJVCCQBSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - PubMed (24906293)
ChEBI Ontology
Outgoing Relation(s)
10-hydroxy-5'-methoxy-6'-chloroarmillane (CHEBI:226955) is a benzoate ester (CHEBI:36054)
10-hydroxy-5'-methoxy-6'-chloroarmillane (CHEBI:226955) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aR,3R,4S,4aR,7R,7aS,7bR)-2a,4,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
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