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CHEBI:219688 - (+/-)-pestalachloride D

ChEBI IDCHEBI:219688
ChEBI Name(+/-)-pestalachloride D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20Cl2O5
Net Charge0
Average Mass423.292
Monoisotopic Mass422.06878
SMILESCOc1c(Cl)c(C)c(Cl)c2c1[C@@H]1c3c(C=O)c(O)cc(O)c3C[C@@H]1C(C)(C)O2
InChIInChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15-/m0/s1
InChIKeyANCGXXHYXGKUAF-NHYWBVRUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (23538869)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-pestalachloride D (CHEBI:219688) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aS,11bS)-2,4-dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-7,11b-dihydro-6aH-indeno[2,1-c]chromene-11-carbaldehyde
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