EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H32 |
| Net Charge | 0 |
| Average Mass | 272.476 |
| Monoisotopic Mass | 272.25040 |
| SMILES | C=C1C[C@@]2(C)CCC[C@@]3(C)CC[C@@H]4[C@H]([C@@H]32)[C@H]1CC[C@@H]4C |
| InChI | InChI=1S/C20H32/c1-13-6-7-15-14(2)12-20(4)10-5-9-19(3)11-8-16(13)17(15)18(19)20/h13,15-18H,2,5-12H2,1,3-4H3/t13-,15-,16-,17+,18-,19-,20+/m0/s1 |
| InChIKey | SRSMHCPRTXUJJM-QRMDPYFQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies (ncbitaxon:1931) | - | PubMed (25605043) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S,3aS,5aS,8aR,10aR,10bS,10cS)-3,5a,8a-trimethyl-10-methylidene-2,3,3a,4,5,6,7,8,9,10a,10b,10c-dodecahydro-1H-pyrene (CHEBI:202051) is a hydrocarbon (CHEBI:24632) |
| IUPAC Name |
|---|
| (3S,3aS,5aS,8aR,10aR,10bS,10cS)-3,5a,8a-trimethyl-10-methylidene-2,3,3a,4,5,6,7,8,9,10a,10b,10c-dodecahydro-1H-pyrene |
| Manual Xrefs | Databases |
|---|---|
| 78436804 | ChemSpider |