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CHEBI:199297 - Trichodermamide C

ChEBI IDCHEBI:199297
ChEBI NameTrichodermamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O9
Net Charge0
Average Mass446.412
Monoisotopic Mass446.13253
SMILESCOc1ccc2cc(N(C)C(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](O)[C@@]4(O)C3)c(=O)oc2c1OC
InChIInChI=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
InChIKeyPCMUPOUDXMFDRE-NYGSYELISA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (18424045)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
23316458ChemSpider