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CHEBI:203913 - Trichodermamide B

ChEBI IDCHEBI:203913
ChEBI NameTrichodermamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19ClN2O8
Net Charge0
Average Mass450.831
Monoisotopic Mass450.08299
SMILESCOc1ccc2cc(NC(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](Cl)[C@@]4(O)C3)c(=O)oc2c1OC
InChIInChI=1S/C20H19ClN2O8/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)22-18(25)11-8-20(27)14(21)6-4-12(24)17(20)31-23-11/h3-7,12,14,17,24,27H,8H2,1-2H3,(H,22,25)/t12-,14-,17+,20+/m1/s1
InChIKeyROOWAKADKHUVSQ-OVCSSCHWSA-N
Species of MetaboliteComponentSourceComments
Trichoderma virens (ncbitaxon:29875) - PubMed (12662106)
ChEBI Ontology
Outgoing Relation(s)
Trichodermamide B (CHEBI:203913) is a coumarins (CHEBI:23403)
IUPAC Name 
(4aR,5R,8R,8aS)-5-chloro-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
Manual XrefsDatabases
555058ChemSpider