Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007467
PROPERTIES
| NPAID | NPA007467 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Bergofungin B |
| FORMULA | C74H122N16O19 |
| MOLECULAR WEIGHT (Da) | 1539.8830 |
| ACCURATE MASS (Da) | 1538.9072 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericellopsis |
| ORIGIN SPECIES | donezkii |
| InChIKey | BUOJQDSEAHONPL-UHFFFAOYSA-N |
| InChI | InChI=1S/C74H122N16O19/c1-22-74(21,68(109)90-36-46(94)33-50(90)59(100)83-69(11,12)63(104)78-44(37-91)31-43-26-24-23-25-27-43)86-57(98)47(28-29-51(75)95)80-58(99)49-32-45(93)35-89(49)67(108)73(19,20)85-62(103)55(41(8)9)81-56(97)48(30-38(2)3)79-52(96)34-76-60(101)53(39(4)5)82-64(105)70(13,14)87-66(107)72(17,18)88-65(106)71(15,16)84-61(102)54(40(6)7)77-42(10)92/h23-27,38-41,44-50,53-55,91,93-94H,22,28-37H2,1-21H3,(H2,75,95)(H,76,101)(H,77,92)(H,78,104)(H,79,96)(H,80,99)(H,81,97)(H,82,105)(H,83,100)(H,84,102)(H,85,103)(H,86,98)(H,87,107)(H,88,106) |
| 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)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)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 |
