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CHEBI:202211 - Arundifungin
| Formula | C34H56O8 |
| Net Charge | 0 |
| Average Mass | 592.814 |
| Monoisotopic Mass | 592.39752 |
| SMILES | CC(CCC(O)C(C)(O)CO)C1(O)CCC2(C)C3=C(CCC21C)C1(C)CCC(OC(=O)CCC(=O)O)C(C)(C)C1CC3 |
| InChI | InChI=1S/C34H56O8/c1-21(8-11-25(36)32(6,40)20-35)34(41)19-18-31(5)23-9-10-24-29(2,3)26(42-28(39)13-12-27(37)38)15-16-30(24,4)22(23)14-17-33(31,34)7/h21,24-26,35-36,40-41H,8-20H2,1-7H3,(H,37,38) |
| InChIKey | GLRAJYAKZQKFPH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Apiospora arundinis (ncbitaxon:335852) | - | PubMed (11770831) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Arundifungin (CHEBI:202211) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 4-[[17-hydroxy-4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 2278394 | ChemSpider |