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CHEBI:207435 - Trichodermamide E

ChEBI IDCHEBI:207435
ChEBI NameTrichodermamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O9
Net Charge0
Average Mass434.401
Monoisotopic Mass434.13253
SMILESCOc1ccc2cc(NC(=O)C3=NO[C@H]4[C@H](O)[C@H](O)CC[C@@]4(O)C3)c(=O)oc2c1OC
InChIInChI=1S/C20H22N2O9/c1-28-13-4-3-9-7-10(19(26)30-15(9)16(13)29-2)21-18(25)11-8-20(27)6-5-12(23)14(24)17(20)31-22-11/h3-4,7,12,14,17,23-24,27H,5-6,8H2,1-2H3,(H,21,25)/t12-,14-,17+,20-/m1/s1
InChIKeyPORUFXVQXLCFEO-MZWCALOPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1039/c7ra10389a)
ChEBI Ontology
Outgoing Relation(s)
Trichodermamide E (CHEBI:207435) is a coumarins (CHEBI:23403)
IUPAC Name 
(4aR,7R,8R,8aS)-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,7,8-trihydroxy-4,5,6,7,8,8a-hexahydro-1,2-benzoxazine-3-carboxamide
Manual XrefsDatabases
62285768ChemSpider