CHEBI:209628 - Pseudogymnoascin B

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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 Pseudogymnoascin B
ChEBI ID CHEBI:209628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21NO12
Net Charge 0
Average Mass 479.394
Monoisotopic Mass 479.10638
InChI InChI=1S/C21H21NO12/c1-9-5-11(23)15(21(28)33-8-10(2)19(25)26)13(6-9)34-18-14(31-3)7-12(24)17(22(29)30)16(18)20(27)32-4/h5-7,10,23-24H,8H2,1-4H3,(H,25,26)/t10-/m0/s1
InChIKey OBKCMFQKASDENF-JTQLQIEISA-N
SMILES O=[N+]([O-])C1=C(C(OC2=C(C(O)=CC(=C2)C)C(=O)OC[C@@H](C(=O)O)C)=C(OC)C=C1O)C(=O)OC
Metabolite of Species Details
Pseudogymnoascusspecies (NCBI:txid1891168) See: PubMed
ChEBI Ontology
Outgoing Pseudogymnoascin B (CHEBI:209628) is a aromatic ether (CHEBI:35618)
IUPAC Name
3-[2-hydroxy-6-(4-hydroxy-6-methoxy-2-methoxycarbonyl-3-nitrophenoxy)-4-methylbenzoyl]oxy-2-methylpropanoic acid
Manual Xref Database
35516927 ChemSpider
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