EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:227855 - Hypocriol E
| Formula | C32H48O6 |
| Net Charge | 0 |
| Average Mass | 528.730 |
| Monoisotopic Mass | 528.34509 |
| SMILES | CC(=O)O[C@H]1C[C@@H](C)[C@@H]2[C@@H](OC[C@@]3(C)CC(C)(C)c4ccc(C)c(CO)c43)OC[C@@]3(C)CC(C)(C)[C@H]1[C@]23O |
| InChI | InChI=1S/C32H48O6/c1-18-10-11-22-25(21(18)13-33)30(8,14-28(22,4)5)16-36-27-24-19(2)12-23(38-20(3)34)26-29(6,7)15-31(9,17-37-27)32(24,26)35/h10-11,19,23-24,26-27,33,35H,12-17H2,1-9H3/t19-,23+,24-,26+,27+,30-,31-,32-/m1/s1 |
| InChIKey | UAIOHYWBMRTGKB-SXLCYRRSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichodermaspecies (ncbitaxon:1715253) | - | PubMed (27328173) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hypocriol E (CHEBI:227855) is a indanes (CHEBI:46940) |
| IUPAC Name |
|---|
| [(1R,4R,7S,8S,9R,11S,12S)-12-hydroxy-7-[[(1S)-7-(hydroxymethyl)-1,3,3,6-tetramethyl-2H-inden-1-yl]methoxy]-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 76779521 | ChemSpider |