EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:200143 - Protorubradirin
| Formula | C48H46N4O20 |
| Net Charge | 0 |
| Average Mass | 998.904 |
| Monoisotopic Mass | 998.27054 |
| SMILES | COc1ccc2c(O)c(NC(=O)c3cc(OC4CC(C)([N+](=O)[O-])C(OC)C(C)O4)c(O)c(C(=O)OC4C(C)/C=C(/C)C(=O)c5c(O)c(C)cc6c5C(=O)C5=C(NCC(C)(O5)C(=O)C4O)C6=O)n3)c(=O)oc2c1 |
| InChI | InChI=1S/C48H46N4O20/c1-17-11-19(3)40(39(59)42(60)48(6)16-49-30-36(56)23-12-18(2)34(54)29(33(17)53)28(23)38(58)41(30)72-48)71-46(63)32-37(57)26(69-27-15-47(5,52(64)65)43(67-8)20(4)68-27)14-24(50-32)44(61)51-31-35(55)22-10-9-21(66-7)13-25(22)70-45(31)62/h9-14,19-20,27,39-40,43,49,54-55,57,59H,15-16H2,1-8H3,(H,51,61)/b17-11- |
| InChIKey | GBZJIWQNTNUYGZ-BOPFTXTBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (1399853) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Protorubradirin (CHEBI:200143) is a hydroxycoumarin (CHEBI:37912) |
| IUPAC Name |
|---|
| [(10Z)-7,14-dihydroxy-6,10,12,16-tetramethyl-2,9,15,21-tetraoxo-20-oxa-18-azatetracyclo[14.3.1.14,19.03,8]henicosa-1(19),3,5,7,10-pentaen-13-yl] 3-hydroxy-6-[(4-hydroxy-7-methoxy-2-oxochromen-3-yl)carbamoyl]-4-(5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxypyridine-2-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78443940 | ChemSpider |