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CHEBI:216573 - Squalestatin H6
| Formula | C23H28O12 |
| Net Charge | 0 |
| Average Mass | 496.465 |
| Monoisotopic Mass | 496.15808 |
| SMILES | CC(/C=C(\CO)CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](O)[C@H]2O)Cc1ccccc1 |
| InChI | InChI=1S/C23H28O12/c1-12(9-13-5-3-2-4-6-13)10-14(11-24)7-8-21-15(25)16(26)23(35-21,20(31)32)22(33,19(29)30)17(34-21)18(27)28/h2-6,10,12,15-17,24-26,33H,7-9,11H2,1H3,(H,27,28)(H,29,30)(H,31,32)/b14-10-/t12?,15-,16-,17-,21+,22-,23+/m1/s1 |
| InChIKey | NNOAULQCFAVIGM-PFGYURHTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phomaspecies C2932 (ncbitaxon:86977) | - | PubMed (8071119) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Squalestatin H6 (CHEBI:216573) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| (1S,3S,4S,5R,6R,7R)-4,6,7-trihydroxy-1-[(Z)-3-(hydroxymethyl)-5-methyl-6-phenylhex-3-enyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78439794 | ChemSpider |