EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H30O12 |
| Net Charge | 0 |
| Average Mass | 582.558 |
| Monoisotopic Mass | 582.17373 |
| SMILES | CC(=O)O[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)OC(C)=O)c(O)c1-c1ccc(O)cc1 |
| InChI | InChI=1S/C30H30O12/c1-15(39-17(3)31)13-23(35)41-29-25(19-5-9-21(33)10-6-19)28(38)30(42-24(36)14-16(2)40-18(4)32)26(27(29)37)20-7-11-22(34)12-8-20/h5-12,15-16,33-34,37-38H,13-14H2,1-4H3/t15-,16-/m0/s1 |
| InChIKey | ZSTKODOFTJPOLN-HOTGVXAUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Paxillus (ncbitaxon:5395) | - | PubMed (12951449) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Curtisian M (CHEBI:198986) is a para-terphenyl (CHEBI:75874) |
| IUPAC Name |
|---|
| [4-[(3S)-3-acetyloxybutanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] (3S)-3-acetyloxybutanoate |
| Manual Xrefs | Databases |
|---|---|
| 8636308 | ChemSpider |