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CHEBI:204683 - [(1S,14S)-5-methyl-3,6-dioxo-4-sulanylidene-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate

ChEBI IDCHEBI:204683
ChEBI Name[(1S,14S)-5-methyl-3,6-dioxo-4-sulanylidene-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H22N2O9S
Net Charge0
Average Mass562.556
Monoisotopic Mass562.10460
SMILESCOc1ccc(C=O)cc1Oc1cc(C(=O)O[C@H]2C=COC=C3C=C4C(=O)N(C)C(=S)C(=O)N4[C@@H]32)ccc1OC
InChIInChI=1S/C28H22N2O9S/c1-29-25(32)18-11-17-14-37-9-8-21(24(17)30(18)26(33)27(29)40)39-28(34)16-5-7-20(36-3)23(12-16)38-22-10-15(13-31)4-6-19(22)35-2/h4-14,21,24H,1-3H3/t21-,24-/m0/s1
InChIKeyMGHHPGUZWMPXCS-URXFXBBRSA-N
Species of MetaboliteComponentSourceComments
Cladorrhinum (ncbitaxon:223374) - PubMed (15496109)
ChEBI Ontology
Outgoing Relation(s)
[(1S,14S)-5-methyl-3,6-dioxo-4-sulanylidene-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate (CHEBI:204683) is a aromatic ether (CHEBI:35618)
IUPAC Name 
[(1S,14S)-5-methyl-3,6-dioxo-4-sulanylidene-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate
Manual XrefsDatabases
78437179ChemSpider