CHEBI:200346 - [(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-methoxyphenoxy)-4-methoxybenzoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI 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-methoxyphenoxy)-4-methoxybenzoate
ChEBI ID CHEBI:200346
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H22N2O10
Net Charge 0
Average Mass 546.488
Monoisotopic Mass 546.12744
InChI InChI=1S/C28H22N2O10/c1-29-25(32)18-11-17-14-38-9-8-21(24(17)30(18)27(34)26(29)33)40-28(35)16-5-7-20(37-3)23(12-16)39-22-10-15(13-31)4-6-19(22)36-2/h4-14,21,24H,1-3H3/t21-,24-/m0/s1
InChIKey KYKYRYZPDMZPHY-URXFXBBRSA-N
SMILES O=C1N(C(=O)C2=CC=3[C@H](N2C1=O)[C@@H](OC(=O)C4=CC(OC5=C(OC)C=CC(=C5)C=O)=C(OC)C=C4)C=COC3)C
Metabolite of Species Details
Cladorrhinum (NCBI:txid223374) See: PubMed
ChEBI Ontology
Outgoing [(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-methoxyphenoxy)-4-methoxybenzoate (CHEBI:200346) 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-methoxyphenoxy)-4-methoxybenzoate
Manual Xref Database
76768090 ChemSpider
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