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CHEBI:225776 - Rubratoxin acid A
| Formula | C27H34O11 |
| Net Charge | 0 |
| Average Mass | 534.558 |
| Monoisotopic Mass | 534.21011 |
| SMILES | CCCCCC[C@H](O)[C@@H]1/C(C(=O)O)=C(/C(=O)O)C[C@H]([C@@H](O)[C@H]2CC=CC(=O)C2)CC2=C(C(=O)OC2=O)[C@H]1O |
| InChI | InChI=1S/C27H34O11/c1-2-3-4-5-9-18(29)21-19(25(34)35)16(24(32)33)11-14(22(30)13-7-6-8-15(28)10-13)12-17-20(23(21)31)27(37)38-26(17)36/h6,8,13-14,18,21-23,29-31H,2-5,7,9-12H2,1H3,(H,32,33)(H,34,35)/b19-16-/t13-,14-,18-,21+,22-,23+/m0/s1 |
| InChIKey | LZANHLRQWLRERF-VRDPEMQLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Talaromyces purpureogenus (ncbitaxon:1266744) | - | PubMed (31710490) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Rubratoxin acid A (CHEBI:225776) has functional parent tetracarboxylic acid (CHEBI:35742) |
| Rubratoxin acid A (CHEBI:225776) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (4S,5S,6Z,9S)-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-9-[(R)-hydroxy-[(1S)-5-oxocyclohex-3-en-1-yl]methyl]-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona[c]uran-6,7-dicarboxylic acid |