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CHEBI:215716 - Spiroxanthoquinodin B
| Formula | C32H30O13 |
| Net Charge | 0 |
| Average Mass | 622.579 |
| Monoisotopic Mass | 622.16864 |
| SMILES | COC(=O)[C@H]1C=C[C@]2(Cc3cc(O)c4c(c31)O[C@@]1(C(=O)OC)C(=C4O)C(=O)CC[C@H]1O)[C@@H](O)C(=O)c1c(O)cc(C)cc1[C@@H]2O |
| InChI | InChI=1S/C32H30O13/c1-12-8-15-21(17(34)9-12)25(38)28(40)31(27(15)39)7-6-14(29(41)43-2)20-13(11-31)10-18(35)22-24(37)23-16(33)4-5-19(36)32(23,30(42)44-3)45-26(20)22/h6-10,14,19,27-28,34-37,39-40H,4-5,11H2,1-3H3/t14-,19+,27-,28-,31+,32+/m0/s1 |
| InChIKey | VNIZAJZTVLZYGC-VRCXXQDVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cytospora (ncbitaxon:117544) | - | PubMed (29677644) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Spiroxanthoquinodin B (CHEBI:215716) is a xanthenes (CHEBI:38835) |
| IUPAC Name |
|---|
| dimethyl (1S,1'S,2S,3R,12'R,12'aS)-1,3,5,7',8',12'-hexahydroxy-7-methyl-4,9'-dioxospiro[1,3-dihydronaphthalene-2,4'-5,10,11,12-tetrahydro-1H-cyclohepta[c]xanthene]-1',12'a-dicarboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78442182 | ChemSpider |