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CHEBI:184111 - Thalsimidine
| Formula | C36H36N2O7 |
| Net Charge | 0 |
| Average Mass | 608.691 |
| Monoisotopic Mass | 608.25225 |
| SMILES | [H][C@]12Cc3ccc(OC)c(c3)Oc3ccc(cc3)CC3=NCCc4cc(OC)c(cc43)Oc3c(OC)c(OC)c(O)c(c31)CCN2 |
| InChI | InChI=1S/C36H36N2O7/c1-40-28-10-7-21-16-27-32-24(12-14-38-27)33(39)35(42-3)36(43-4)34(32)45-31-19-25-22(18-29(31)41-2)11-13-37-26(25)15-20-5-8-23(9-6-20)44-30(28)17-21/h5-10,17-19,27,38-39H,11-16H2,1-4H3/t27-/m0/s1 |
| InChIKey | MGZXYSMKGOWRHB-MHZLTWQESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) | |
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thalsimidine (CHEBI:184111) is a phenylpropanoid (CHEBI:26004) |
| IUPAC Name |
|---|
| (14S)-9,20,21,25-tetramethoxy-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-tridecaen-19-ol |