CHEBI:221769 - Penigainamide A

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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 Penigainamide A
ChEBI ID CHEBI:221769
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23ClN2O8S3
Net Charge 0
Average Mass 563.050
Monoisotopic Mass 562.03051
InChI InChI=1S/C21H23ClN2O8S3/c1-23-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-35-34-21(19(23)28)8-20(29)12(22)7-5-10(25)17(20)32-24(21)18(13)27/h4-7,10,12-13,16-17,25-26,29H,8H2,1-3H3/t10-,12-,13-,16+,17+,20+,21-/m1/s1
InChIKey UHBSCIRBTYMXQF-FEHKQZEWSA-N
SMILES Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SSS[C@H]([C@H](C(N3O2)=O)N(C4=O)C)C5=C(O)C(OC)=C(OC)C=C5
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penigainamide A (CHEBI:221769) is a methoxybenzenes (CHEBI:51683)
Penigainamide A (CHEBI:221769) is a phenols (CHEBI:33853)