EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H30O7 |
| Net Charge | 0 |
| Average Mass | 442.508 |
| Monoisotopic Mass | 442.19915 |
| SMILES | C[C@@H]1Cc2c(c(O)cc3c2[C@H](O)[C@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@H](O)[C@]2(C)O3)C(=O)O1 |
| InChI | InChI=1S/C25H30O7/c1-11-8-12-18(22(30)31-11)13(26)9-14-19(12)20(29)21-24(4)7-6-16(27)23(2,3)15(24)10-17(28)25(21,5)32-14/h6-7,9,11,15,17,20-21,26,28-29H,8,10H2,1-5H3/t11-,15+,17+,20+,21+,24+,25+/m1/s1 |
| InChIKey | YXQWJUBIVWMQKE-LDTXZJLYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (28807715) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Chrodrimanin P (CHEBI:206703) is a diterpene lactone (CHEBI:49193) |
| IUPAC Name |
|---|
| (1R,2R,6R,14R,15S,17R,22S)-2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione |
| Manual Xrefs | Databases |
|---|---|
| 62429267 | ChemSpider |