Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010128812 | Gold | 3 |
| CCMSLIB00010128809 | Gold | 3 |
| CCMSLIB00010128810 | Gold | 3 |
COMPOUND NPA012946
PROPERTIES
| NPAID | NPA012946 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Epichlicin |
| FORMULA | C48H74N12O14 |
| MOLECULAR WEIGHT (Da) | 1043.1900 |
| ACCURATE MASS (Da) | 1042.5447 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Epichloe |
| ORIGIN SPECIES | typhina |
| InChIKey | QPLUQODTAQYAFC-FVBCJJOCSA-N |
| InChI | InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)44(70)56-31(21-27-14-16-29(62)17-15-27)43(69)57-33(24-39(51)65)45(71)55-30(18-19-37(49)63)42(68)59-35(26-61)46(72)58-34(25-40(52)66)48(74)60-20-11-13-36(60)47(73)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,73)(H,54,67)(H,55,71)(H,56,70)(H,57,69)(H,58,72)(H,59,68)/t28-,30+,31-,32+,33+,34+,35+,36+/m1/s1 |
| SMILES | CCCCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(=O)N)CO)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seto, Yoshiya; Takahashi, Kosaku; Matsuura, Hideyuki; Kogami, Yasunori; Yada, Hiroshi; Yoshihara, Teruhiko; Nabeta, Kensuke Novel cyclic peptide, epichlicin, from the endophytic fungus, Epichloe typhina Bioscience Biotechnology and Biochemistry 2007 71 (6) 1470-1475. | ||
|---|---|---|---|
| DOI | 10.1271/bbb.60700 | PMID | 17587677 |
