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CHEBI:227413 - CJ-21,164
| Formula | C38H37ClO14 |
| Net Charge | 0 |
| Average Mass | 753.153 |
| Monoisotopic Mass | 752.18718 |
| SMILES | COC1=C(C)C(=O)C=C(C)[C@@]1(O)C(=O)Oc1c(C)c(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(OC)c(C(=O)O)c(C)c3C)c(O)c2C)c(O)c1Cl |
| InChI | InChI=1S/C38H37ClO14/c1-14-11-23(21(8)30(41)26(14)35(45)52-24-13-25(49-9)27(34(43)44)17(4)16(24)3)51-36(46)28-18(5)19(6)32(29(39)31(28)42)53-37(47)38(48)15(2)12-22(40)20(7)33(38)50-10/h11-13,41-42,48H,1-10H3,(H,43,44)/t38-/m0/s1 |
| InChIKey | AFEAZMLLVJMACB-LHEWISCISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chloridium (ncbitaxon:139961) | - | PubMed (12002992) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CJ-21,164 (CHEBI:227413) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-[4-[3-chloro-2-hydroxy-4-(1-hydroxy-2-methoxy-3,6-dimethyl-4-oxocyclohexa-2,5-diene-1-carbonyl)oxy-5,6-dimethylbenzoyl]oxy-2-hydroxy-3,6-dimethylbenzoyl]oxy-6-methoxy-2,3-dimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 7986480 | ChemSpider |