EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:219043 - Colobetaolactone G
| Formula | C32H42O7 |
| Net Charge | 0 |
| Average Mass | 538.681 |
| Monoisotopic Mass | 538.29305 |
| SMILES | CC(=O)O[C@@H]1C[C@H]([C@H](C)C2CC=C(C)C(=O)O2)[C@@]2(C)CCC3=C(CCC4(O)C(=C3)C=CC(=O)OC4(C)C)[C@]12C |
| InChI | InChI=1S/C32H42O7/c1-18-8-10-25(38-28(18)35)19(2)24-17-26(37-20(3)33)31(7)23-13-15-32(36)22(9-11-27(34)39-29(32,4)5)16-21(23)12-14-30(24,31)6/h8-9,11,16,19,24-26,36H,10,12-15,17H2,1-7H3/t19-,24+,25?,26+,30+,31+,32?/m0/s1 |
| InChIKey | XJXZBYGMEHOTKU-CNSMAIHUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma colossus (ncbitaxon:36070) | - | DOI (10.1021/np000437k) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Colobetaolactone G (CHEBI:219043) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [(13R,14R,16R,17R)-9-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 8362621 | ChemSpider |