EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H24ClNO10 |
| Net Charge | 0 |
| Average Mass | 581.961 |
| Monoisotopic Mass | 581.10887 |
| SMILES | CCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c4oc5c(c(=O)c4c(O)c13)[C@@H](O)[C@@H](O)C[C@@H]5O)C2=O |
| InChI | InChI=1S/C29H24ClNO10/c1-4-5-11-20(30)16-17(29(39)31(11)2)23(36)14-9(21(16)34)6-7-10-15(14)24(37)19-25(38)18-22(35)12(32)8-13(33)27(18)41-28(19)26(10)40-3/h6-7,12-13,22,32-33,35,37H,4-5,8H2,1-3H3/t12-,13-,22-/m0/s1 |
| InChIKey | VXXQRIDYOXHDCN-MZFXBISCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kibdelosporangium (ncbitaxon:2029) | - | PubMed (17091523) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kibdelone A (CHEBI:208724) is a xanthones (CHEBI:51149) |
| IUPAC Name |
|---|
| (19S,21S,22R)-8-chloro-19,21,22,26-tetrahydroxy-15-methoxy-6-methyl-7-propyl-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,12,15,18(23),25-octaene-3,5,10,24-tetrone |
| Manual Xrefs | Databases |
|---|---|
| 17267084 | ChemSpider |