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CHEBI:218786 - Welwitindolinone B isothiocyanate
| Formula | C21H21ClN2O2S |
| Net Charge | 0 |
| Average Mass | 400.931 |
| Monoisotopic Mass | 400.10123 |
| SMILES | C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@H](C(=O)N3)C2(C)C |
| InChI | InChI=1S/C21H21ClN2O2S/c1-5-20(4)14(22)9-12-17(25)21(20,23-10-27)11-7-6-8-13-15(11)16(18(26)24-13)19(12,2)3/h5-8,12,14,16H,1,9H2,2-4H3,(H,24,26)/t12-,14+,16+,20+,21+/m0/s1 |
| InChIKey | VLJMTNLRJHJRGI-VCOCTOFQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hapalosiphon welwitschii (ncbitaxon:162986) | - | DOI (10.1021/jo00226a009) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Welwitindolinone B isothiocyanate (CHEBI:218786) is a indoles (CHEBI:24828) |
| IUPAC Name |
|---|
| (2S,3S,4R,6R,8R)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.12,6.011,15]hexadeca-1(15),11,13-triene-9,16-dione |
| Manual Xrefs | Databases |
|---|---|
| 78440665 | ChemSpider |