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CHEBI:203523 - 13-deoxyarmellide B

ChEBI IDCHEBI:203523
ChEBI Name13-deoxyarmellide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31ClO7
Net Charge0
Average Mass466.958
Monoisotopic Mass466.17583
SMILESCOc1cc(O)c(C(=O)OCC2=C[C@@H]3CC(C)(C)[C@H](O)[C@@H]3[C@@]3(C)C[C@@H](O)[C@@]23O)c(C)c1Cl
InChIInChI=1S/C24H31ClO7/c1-11-17(14(26)7-15(31-5)19(11)25)21(29)32-10-13-6-12-8-22(2,3)20(28)18(12)23(4)9-16(27)24(13,23)30/h6-7,12,16,18,20,26-28,30H,8-10H2,1-5H3/t12-,16-,18-,20-,23-,24+/m1/s1
InChIKeyCJNLXKYQKWFRHQ-UEXMDZLUSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - PubMed (24906293)
ChEBI Ontology
Outgoing Relation(s)
13-deoxyarmellide B (CHEBI:203523) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,7R,7aS,7bR)-2,2a,7-trihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-3-yl]methyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
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78442008ChemSpider