Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577637 | Gold | 3 |
COMPOUND NPA016221
PROPERTIES
| NPAID | NPA016221 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Cephaibol C |
| FORMULA | C81H125N17O20 |
| MOLECULAR WEIGHT (Da) | 1656.9900 |
| ACCURATE MASS (Da) | 1655.9287 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | tubakii |
| InChIKey | GXDCOMRETADJBG-UHFFFAOYSA-N |
| InChI | InChI=1S/C81H125N17O20/c1-20-81(19,91-62(107)53(36-45(2)3)86-59(104)41-83-66(111)74(5,6)92-68(113)76(9,10)94-69(114)77(11,12)93-67(112)75(7,8)88-61(106)54(84-46(4)100)38-48-30-25-22-26-31-48)70(115)95-80(17,18)73(118)97-42-50(101)39-56(97)64(109)87-52(33-34-58(82)103)60(105)89-79(15,16)72(117)98-43-51(102)40-57(98)65(110)90-78(13,14)71(116)96-35-27-32-55(96)63(108)85-49(44-99)37-47-28-23-21-24-29-47/h21-26,28-31,45,49-57,99,101-102H,20,27,32-44H2,1-19H3,(H2,82,103)(H,83,111)(H,84,100)(H,85,108)(H,86,104)(H,87,109)(H,88,106)(H,89,105)(H,90,110)(H,91,107)(H,92,113)(H,93,112)(H,94,114)(H,95,115) |
| SMILES | CCC(C)(C(=O)NC(C)(C)C(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)CO)O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schiell, M; Hofmann, J; Kurz, M; Schmidt, F R; Vértesy, L; Vogel, M; Wink, J; Seibert, G Cephaibols, new peptaibol antibiotics with anthelmintic properties from Acremonium tubakii DSM 12774. Journal of Antibiotics 2001 54 (3) 220-233. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.220 | PMID | 11372779 |
