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CHEBI:227023 - Fasciculic acid F
| Formula | C36H60O10 |
| Net Charge | 0 |
| Average Mass | 652.866 |
| Monoisotopic Mass | 652.41865 |
| SMILES | CC(O)(CC(=O)O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O)[C@]1(C)CC[C@H]([C@H](CO)CC[C@@H](O)C(C)(C)O)[C@@]1(C)[C@@H](O)C3 |
| InChI | InChI=1S/C36H60O10/c1-31(2)25-11-10-22-23(34(25,6)16-24(30(31)43)46-29(42)18-33(5,45)17-28(40)41)15-27(39)36(8)21(13-14-35(22,36)7)20(19-37)9-12-26(38)32(3,4)44/h20-21,24-27,30,37-39,43-45H,9-19H2,1-8H3,(H,40,41)/t20-,21+,24+,25-,26+,27-,30-,33?,34+,35-,36-/m0/s1 |
| InChIKey | FLXWNHMMKNTKDN-ZCWVSGAQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hypholoma fasciculare (ncbitaxon:72129) | - | DOI (10.1002/(sici)1521-4028(199912)39:5/6<345::aid-jobm345>3.0.co;2-k) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fasciculic acid F (CHEBI:227023) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 5-[[(2R,3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442685 | ChemSpider |