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CHEBI:204202 - Desacetoxy-zaragozic acid C
| Formula | C38H48O12 |
| Net Charge | 0 |
| Average Mass | 696.790 |
| Monoisotopic Mass | 696.31458 |
| SMILES | CC(/C=C/CCC(=O)O[C@@H]1[C@@H](O)C2(CCCCC(C)Cc3ccccc3)OC(C(=O)O)C(O)(C(=O)O)C1(C(=O)O)O2)CCCc1ccccc1 |
| InChI | InChI=1S/C38H48O12/c1-25(16-13-21-27-17-5-3-6-18-27)14-9-10-22-29(39)48-31-30(40)36(23-12-11-15-26(2)24-28-19-7-4-8-20-28)49-32(33(41)42)37(47,34(43)44)38(31,50-36)35(45)46/h3-9,14,17-20,25-26,30-32,40,47H,10-13,15-16,21-24H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)/b14-9+/t25?,26?,30-,31-,32?,36?,37?,38?/m1/s1 |
| InChIKey | ZOTNYZYRJOAANS-OIAIRNFISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Leptodontidium elatius (ncbitaxon:187858) | - | DOI (10.1021/np960003i) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Desacetoxy-zaragozic acid C (CHEBI:204202) has functional parent tetracarboxylic acid (CHEBI:35742) |
| Desacetoxy-zaragozic acid C (CHEBI:204202) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (6R,7R)-4,7-dihydroxy-1-(5-methyl-6-phenylhexyl)-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 8028786 | ChemSpider |