EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5514 - Gnididin
| Formula | C37H44O10 |
| Net Charge | 0 |
| Average Mass | 648.749 |
| Monoisotopic Mass | 648.29345 |
| SMILES | [H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@H]3OC4(c5ccccc5)O[C@@]3(C(=C)C)[C@H](OC(=O)/C=C/C=C/CCCCC)[C@@H](C)[C@]21O4 |
| InChI | InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h10-19,23,25,27,29-32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37?/m1/s1 |
| InChIKey | OBYWPUMYSJSSFH-GCWWINTLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gnididin (CHEBI:5514) is a diterpenoid (CHEBI:23849) |
| Synonym | Source |
|---|---|
| Gnididin | KEGG COMPOUND |