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CHEBI:208853 - Thiopleurotinic acid B
| Formula | C26H31NO8S |
| Net Charge | 0 |
| Average Mass | 517.600 |
| Monoisotopic Mass | 517.17704 |
| SMILES | CC(=O)N[C@@H](CSC1=CC(=O)C2=C(C[C@H]3[C@H](C(=O)O)CC[C@H]4[C@@H]5CC[C@@]43[C@@H]2OC[C@H]5C)C1=O)C(=O)O |
| InChI | InChI=1S/C26H31NO8S/c1-11-9-35-23-21-15(7-17-14(24(31)32)3-4-16-13(11)5-6-26(16,17)23)22(30)20(8-19(21)29)36-10-18(25(33)34)27-12(2)28/h8,11,13-14,16-18,23H,3-7,9-10H2,1-2H3,(H,27,28)(H,31,32)(H,33,34)/t11-,13-,14-,16+,17+,18+,23-,26-/m1/s1 |
| InChIKey | CELGBPNSVHKPLO-XDYVMVOUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hohenbuehelia grisea (ncbitaxon:104357) | - | PubMed (29356520) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thiopleurotinic acid B (CHEBI:208853) is a anthracenes (CHEBI:46955) |
| IUPAC Name |
|---|
| (1R,2S,5R,6S,14S,17S,18S)-10-[(2R)-2-acetamido-2-carboxyethyl]sulanyl-17-methyl-9,12-dioxo-15-oxapentacyclo[12.6.0.01,6.02,18.08,13]icosa-8(13),10-diene-5-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78439039 | ChemSpider |