CHEBI:208703 - 3-nitroasterric acid

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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 3-nitroasterric acid
ChEBI ID CHEBI:208703
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H15NO10
Net Charge 0
Average Mass 393.304
Monoisotopic Mass 393.06960
InChI InChI=1S/C17H15NO10/c1-7-4-8(19)12(16(21)22)10(5-7)28-15-11(26-2)6-9(20)14(18(24)25)13(15)17(23)27-3/h4-6,19-20H,1-3H3,(H,21,22)
InChIKey LIOYDERPRTXVRL-UHFFFAOYSA-N
SMILES O=[N+]([O-])C1=C(C(OC2=C(C(O)=CC(=C2)C)C(=O)O)=C(OC)C=C1O)C(=O)OC
Metabolite of Species Details
Pseudogymnoascusspecies (NCBI:txid1891168) See: PubMed
ChEBI Ontology
Outgoing 3-nitroasterric acid (CHEBI:208703) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-hydroxy-6-(4-hydroxy-6-methoxy-2-methoxycarbonyl-3-nitrophenoxy)-4-methylbenzoic acid
Manual Xref Database
35516929 ChemSpider
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