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CHEBI:191770 - Mulberrofuran S
| Formula | C34H24O9 |
| Net Charge | 0 |
| Average Mass | 576.557 |
| Monoisotopic Mass | 576.14203 |
| SMILES | [H][C@@]12C3=C(c4ccc(O)cc4O)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c4C3=C[C@@](C)(Oc3cc(O)ccc31)[C@H]2O |
| InChI | InChI=1S/C34H24O9/c1-34-14-22-29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)42-32(20-6-4-17(35)11-23(20)38)30(22)31(33(34)40)21-7-5-19(37)13-27(21)43-34/h2-14,31,33,35-40H,1H3/t31-,33-,34+/m0/s1 |
| InChIKey | MINVTMPFZNRNNP-FZCBKRAZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) | ||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Mulberrofuran S (CHEBI:191770) is a benzofurans (CHEBI:35259) |
| IUPAC Name |
|---|
| (1S,13R,21S)-3-(2,4-dihydroxyphenyl)-7-(6-hydroxy-1-benzouran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,5,7,9,11,15(20),16,18-octaene-9,17,21-triol |
| Registry Numbers | Sources |
|---|---|
| CAS:125090-76-8 | ChemIDplus |