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CHEBI:225704 - Spectomycin B1
| Formula | C38H34O14 |
| Net Charge | 0 |
| Average Mass | 714.676 |
| Monoisotopic Mass | 714.19486 |
| SMILES | COC(=CC(=O)O)C1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)CC(C)(O)C6C(=CC(=O)O)OC)c(O)c3c(O)c2C(=O)CC1(C)O |
| InChI | InChI=1S/C38H34O14/c1-37(49)13-21(39)29-19(31(37)23(51-3)11-25(41)42)9-15-5-7-17(33(45)27(15)35(29)47)18-8-6-16-10-20-30(36(48)28(16)34(18)46)22(40)14-38(2,50)32(20)24(52-4)12-26(43)44/h5-12,31-32,45-50H,13-14H2,1-4H3,(H,41,42)(H,43,44) |
| InChIKey | ORXVKHNPIHZPEJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspeciesctabilis (ncbitaxon:68270) | - | PubMed (7844036) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Spectomycin B1 (CHEBI:225704) is a anthracenes (CHEBI:46955) |
| IUPAC Name |
|---|
| 3-[6-[5-(2-carboxy-1-methoxyethenyl)-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]-3-methoxyprop-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78444355 | ChemSpider |