CHEBI:203564 - Pseudogymnoascin C

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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 C
ChEBI ID CHEBI:203564
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H19NO12
Net Charge 0
Average Mass 465.367
Monoisotopic Mass 465.09073
InChI InChI=1S/C20H19NO12/c1-8-5-10(22)14(20(27)32-9(2)18(24)25)12(6-8)33-17-13(30-3)7-11(23)16(21(28)29)15(17)19(26)31-4/h5-7,9,22-23H,1-4H3,(H,24,25)/t9-/m0/s1
InChIKey OCYICDINBUIUEQ-VIFPVBQESA-N
SMILES O=[N+]([O-])C1=C(C(OC2=C(C(O)=CC(=C2)C)C(=O)O[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 C (CHEBI:203564) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-[2-hydroxy-6-(4-hydroxy-6-methoxy-2-methoxycarbonyl-3-nitrophenoxy)-4-methylbenzoyl]oxypropanoic acid
Manual Xref Database
35516928 ChemSpider
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