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CHEBI:200555 - Thielocin-B1
| Formula | C53H58O17 |
| Net Charge | 0 |
| Average Mass | 967.030 |
| Monoisotopic Mass | 966.36740 |
| SMILES | COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(=O)O |
| InChI | InChI=1S/C53H58O17/c1-19-23(5)41(30(12)44(63-15)34(19)49(56)57)69-52(61)36-21(3)25(7)40(29(11)46(36)65-17)67-48-27(9)33(38(54)28(10)39(48)55)51(60)68-43-26(8)22(4)37(47(66-18)32(43)14)53(62)70-42-24(6)20(2)35(50(58)59)45(64-16)31(42)13/h54-55H,1-18H3,(H,56,57)(H,58,59) |
| InChIKey | BOFISKFABQHONR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Thielavia (ncbitaxon:35719) | - | PubMed (7706119) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielocin-B1 (CHEBI:200555) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-[4-[5-[4-(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-2,4-dihydroxy-3,6-dimethylphenoxy]-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 32033909 | ChemSpider |