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CHEBI:2928 - Auriculine
| Formula | C31H45NO8 |
| Net Charge | 0 |
| Average Mass | 559.700 |
| Monoisotopic Mass | 559.31452 |
| SMILES | [H][C@]12CCCN1CC[C@@H]2COC(=O)c1cc(CC=C(C)C)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CC=C(C)C)c1 |
| WURCS | WURCS=2.0/1,1,0/[a2122h-1b_1-5_1*O(CCCCCC$3/8)CC=CC/11C(/6)COCC^SC^RNCCC$18/19CC$17/14=O(/4)CC=CC/28C]/1/ |
| InChI | InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26-,27+,28-,31+/m1/s1 |
| InChIKey | FQXZITIIHQHGBC-KRYJLITLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Auriculine (CHEBI:2928) is a L-α-D-Hepp-(1→7)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:78618) |
| Synonym | Source |
|---|---|
| Auriculine | KEGG COMPOUND |