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CHEBI:218681 - Dethiosecoemestrin

ChEBI IDCHEBI:218681
ChEBI NameDethiosecoemestrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H20N2O10
Net Charge0
Average Mass532.461
Monoisotopic Mass532.11179
SMILESCOc1ccc(C(=O)O[C@H]2C=COC=C3C=C4C(=O)N(C)C(=O)C(=O)N4[C@@H]32)cc1Oc1cc(C=O)ccc1O
InChIInChI=1S/C27H20N2O10/c1-28-24(32)17-10-16-13-37-8-7-20(23(16)29(17)26(34)25(28)33)39-27(35)15-4-6-19(36-2)22(11-15)38-21-9-14(12-30)3-5-18(21)31/h3-13,20,23,31H,1-2H3/t20-,23-/m0/s1
InChIKeyAPGIPIWYVRPJKL-REWPJTCUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus striatus (ncbitaxon:469280) - PubMed (3769063)
ChEBI Ontology
Outgoing Relation(s)
Dethiosecoemestrin (CHEBI:218681) is a aromatic ether (CHEBI:35618)
IUPAC Name 
[(1S,14S)-5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-hydroxyphenoxy)-4-methoxybenzoate
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114038ChemSpider