EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H42O7 |
| Net Charge | 0 |
| Average Mass | 514.659 |
| Monoisotopic Mass | 514.29305 |
| SMILES | CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(=O)O |
| InChI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,24-25H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,24+,25-,28+,29-,30+/m1/s1 |
| InChIKey | LYPMWWKFDBLENE-KETOQCDDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma lucidum (ncbitaxon:5315) | - | DOI (10.1002/hlca.200900028) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8beta,9alpha-dihydroganoderic acid C (CHEBI:205686) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (6R)-2-methyl-4-oxo-6-[(5R,8R,9S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,8,9,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78441453 | ChemSpider |