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CHEBI:205504 - Lolitrem E
| Formula | C42H57NO7 |
| Net Charge | 0 |
| Average Mass | 687.918 |
| Monoisotopic Mass | 687.41350 |
| SMILES | CC(C)=CCOC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O |
| InChI | InChI=1S/C42H57NO7/c1-21(2)15-18-47-38(7,8)34-32(45)35-42(49-35)28(48-34)14-16-39(9)40(10)22(13-17-41(39,42)46)19-25-29-24-20-26-30(37(5,6)50-36(26,3)4)31(44)23(24)11-12-27(29)43-33(25)40/h11-12,15,22,26,28,30,32,34-35,43,45-46H,13-14,16-20H2,1-10H3/t22-,26+,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1 |
| InChIKey | XERCMAQJPCQQAO-OKQVYEMSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Epichloe festucae var. lolii (ncbitaxon:73839) | - | DOI (10.1021/jf00053a029) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lolitrem E (CHEBI:205504) is a organic heterotricyclic compound (CHEBI:26979) |
| Lolitrem E (CHEBI:205504) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (2S,3R,6S,8S,9R,10R,12S,13S,16S,22R,26R)-9,13-dihydroxy-2,3,23,23,25,25-hexamethyl-8-[2-(3-methylbut-2-enoxy)propan-2-yl]-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one |