EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H30O14 |
| Net Charge | 0 |
| Average Mass | 626.567 |
| Monoisotopic Mass | 626.16356 |
| SMILES | Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)c4c4oc(=O)c1c2c34 |
| InChI | InChI=1S/C31H30O14/c1-9-7-8-14-17-15(9)28(38)44-26-16-12(22(34)19(18(17)26)29(39)42-14)5-4-6-13(16)43-31-27(24(36)21(33)11(3)41-31)45-30-25(37)23(35)20(32)10(2)40-30/h4-8,10-11,20-21,23-25,27,30-37H,1-3H3 |
| InChIKey | YEHWMDOPGZMLDO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (1500353) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3''-Demethylchartreusin (CHEBI:203234) is a benzochromenone (CHEBI:64986) |
| 3''-Demethylchartreusin (CHEBI:203234) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione |
| Manual Xrefs | Databases |
|---|---|
| 16205514 | ChemSpider |