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CHEBI:201159 - [(1S,7R,8R,14S)-8-hydroxy-5-methyl-7-methylsulanyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-dien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate

ChEBI IDCHEBI:201159
ChEBI Name[(1S,7R,8R,14S)-8-hydroxy-5-methyl-7-methylsulanyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-dien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26N2O11S
Net Charge0
Average Mass610.597
Monoisotopic Mass610.12573
SMILESCOc1ccc(C=O)cc1Oc1cc(C(=O)O[C@H]2C=COC=C3[C@@H](O)[C@@]4(SC)C(=O)N(C)C(=O)C(=O)N4[C@@H]32)ccc1OC
InChIInChI=1S/C29H26N2O11S/c1-30-25(34)26(35)31-23-17(24(33)29(31,43-4)28(30)37)14-40-10-9-20(23)42-27(36)16-6-8-19(39-3)22(12-16)41-21-11-15(13-32)5-7-18(21)38-2/h5-14,20,23-24,33H,1-4H3/t20-,23-,24+,29+/m0/s1
InChIKeyIJUUFRHGGGTUHO-HTZDSBNASA-N
Species of MetaboliteComponentSourceComments
Cladorrhinum (ncbitaxon:223374) - PubMed (15496109)
ChEBI Ontology
Outgoing Relation(s)
[(1S,7R,8R,14S)-8-hydroxy-5-methyl-7-methylsulanyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-dien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate (CHEBI:201159) is a aromatic ether (CHEBI:35618)
IUPAC Name 
[(1S,7R,8R,14S)-8-hydroxy-5-methyl-7-methylsulanyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-dien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate
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