CHEBI:199297 - Trichodermamide 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 Trichodermamide C
ChEBI ID CHEBI:199297
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22N2O9
Net Charge 0
Average Mass 446.412
Monoisotopic Mass 446.13253
InChI InChI=1S/C21H22N2O9/c1-23(12-8-10-4-6-14(29-2)17(30-3)16(10)31-20(12)27)19(26)11-9-21(28)15(25)7-5-13(24)18(21)32-22-11/h4-8,13,15,18,24-25,28H,9H2,1-3H3/t13-,15-,18+,21+/m1/s1
InChIKey PCMUPOUDXMFDRE-NYGSYELISA-N
SMILES O=C1OC2=C(OC)C(OC)=CC=C2C=C1N(C(=O)C3=NO[C@H]4[C@H](O)C=C[C@H]([C@]4(C3)O)O)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Trichodermamide C (CHEBI:199297) is a coumarins (CHEBI:23403)
IUPAC Name
(4aS,5R,8R,8aS)-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
Manual Xref Database
23316458 ChemSpider
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