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CHEBI:211798 - Duclauxin

ChEBI IDCHEBI:211798
ChEBI NameDuclauxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H22O11
Net Charge0
Average Mass546.484
Monoisotopic Mass546.11621
SMILESCOC12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)C1C13COC(=O)c4c(O)cc(C)c(c41)C(=O)C2C3OC(C)=O
InChIInChI=1S/C29H22O11/c1-9-5-14(32)18-20-15(9)23(34)21-25(40-11(3)30)28(20,8-39-27(18)36)24-22(33)12-7-38-26(35)17-13(31)6-10(2)19(16(12)17)29(21,24)37-4/h5-7,21,24-25,31-32H,8H2,1-4H3
InChIKeyWBQDAYWQELBEPU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (4856962)
ChEBI Ontology
Outgoing Relation(s)
Duclauxin (CHEBI:211798) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl) acetate
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4526566ChemSpider