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CHEBI:223549 - 5-epi-pretrichodermamide A

ChEBI IDCHEBI:223549
ChEBI Name5-epi-pretrichodermamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O9S2
Net Charge0
Average Mass498.535
Monoisotopic Mass498.07667
SMILESCOc1ccc([C@H]2SS[C@@]34C[C@]5(O)[C@@H](O)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2NC4=O)c(O)c1OC
InChIInChI=1S/C20H22N2O9S2/c1-29-10-5-3-8(13(25)14(10)30-2)15-12-17(26)22-20(33-32-15,18(27)21-12)7-19(28)11(24)6-4-9(23)16(19)31-22/h3-6,9,11-12,15-16,23-25,28H,7H2,1-2H3,(H,21,27)/t9-,11+,12-,15-,16+,19+,20-/m1/s1
InChIKeyPPQRKKLHNNMQJV-GGLVFAGASA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (32427947)
ChEBI Ontology
Outgoing Relation(s)
5-epi-pretrichodermamide A (CHEBI:223549) is a methoxybenzenes (CHEBI:51683)
5-epi-pretrichodermamide A (CHEBI:223549) is a phenols (CHEBI:33853)
IUPAC Name 
(1R,3S,4S,7R,8S,12S,13R)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.01,10.03,8]heptadec-5-ene-11,16-dione
Manual XrefsDatabases
95798015ChemSpider