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CHEBI:225765 - Arenicolin A
| Formula | C41H56O16 |
| Net Charge | 0 |
| Average Mass | 804.883 |
| Monoisotopic Mass | 804.35684 |
| SMILES | CCCCCCCc1cc(OC(=O)c2c(CCCCCCC)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc(O)c1C(=O)O[C@@H]1C(=O)C(CO)=C[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C41H56O16/c1-3-5-7-9-11-13-21-15-24(18-26(45)29(21)40(53)57-39-32(47)23(19-42)17-27(46)33(39)48)55-41(54)30-22(14-12-10-8-6-4-2)16-25(44)31(35(30)50)38-37(52)36(51)34(49)28(20-43)56-38/h15-18,27-28,33-34,36-39,42-46,48-52H,3-14,19-20H2,1-2H3/t27-,28-,33-,34-,36+,37-,38+,39-/m1/s1 |
| InChIKey | SITFMNHERLFSHL-GXTBUTQJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phialomyces arenicola (ncbitaxon:168477) | - | PubMed (31999116) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Arenicolin A (CHEBI:225765) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [4-[(1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl]oxycarbonyl-3-heptyl-5-hydroxyphenyl] 6-heptyl-2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate |