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CHEBI:206523 - N-Me-trichodermamide B

ChEBI IDCHEBI:206523
ChEBI NameN-Me-trichodermamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClN2O8
Net Charge0
Average Mass464.858
Monoisotopic Mass464.09864
SMILESCOc1ccc2cc(N(C)C(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](Cl)[C@@]4(O)C3)c(=O)oc2c1OC
InChIInChI=1S/C21H21ClN2O8/c1-24(12-8-10-4-6-14(29-2)17(30-3)16(10)31-20(12)27)19(26)11-9-21(28)15(22)7-5-13(25)18(21)32-23-11/h4-8,13,15,18,25,28H,9H2,1-3H3/t13-,15-,18+,21+/m1/s1
InChIKeyCWKYOAJKOQIXNM-NYGSYELISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29153548)
ChEBI Ontology
Outgoing Relation(s)
N-Me-trichodermamide B (CHEBI:206523) is a coumarins (CHEBI:23403)
IUPAC Name 
(4aR,5R,8R,8aS)-5-chloro-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,8-dihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
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64063260ChemSpider