Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012589
PROPERTIES
| NPAID | NPA012589 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Bergofungin D |
| FORMULA | C69H113N15O18 |
| MOLECULAR WEIGHT (Da) | 1440.7500 |
| ACCURATE MASS (Da) | 1439.8388 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericellopsis |
| ORIGIN SPECIES | donezkii |
| InChIKey | TWECEMYZYGHZNE-UHFFFAOYSA-N |
| InChI | InChI=1S/C69H113N15O18/c1-20-69(19,63(102)84-34-43(88)31-47(84)55(94)78-64(9,10)58(97)73-41(35-85)29-40-24-22-21-23-25-40)80-52(91)44(26-27-48(70)89)75-54(93)46-30-42(87)33-83(46)62(101)68(17,18)82-61(100)66(13,14)77-53(92)45(28-36(2)3)74-49(90)32-71-56(95)50(37(4)5)76-59(98)65(11,12)81-60(99)67(15,16)79-57(96)51(38(6)7)72-39(8)86/h21-25,36-38,41-47,50-51,85,87-88H,20,26-35H2,1-19H3,(H2,70,89)(H,71,95)(H,72,86)(H,73,97)(H,74,90)(H,75,93)(H,76,98)(H,77,92)(H,78,94)(H,79,96)(H,80,91)(H,81,99)(H,82,100) |
| SMILES | CCC(C)(C(=O)N1CC(CC1C(=O)NC(C)(C)C(=O)NC(CC2=CC=CC=C2)CO)O)NC(=O)C(CCC(=O)N)NC(=O)C3CC(CN3C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | BERG, ALBRECHT; SCHLEGEL, BRIGITTE; IHN, WOLFGANG; DEMUTH, ULRICH; GRÄFE, UDO Isolation and Structural Elucidation of New Peptaibols, Bergofungins B, C and D, from Emericellopsis donezkii HKI 0059 Journal of Antibiotics 1999 52 (7) 666-669. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.666 | PMID | 10513847 |
