Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000939
PROPERTIES
| NPAID | NPA000939 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Bergofungin C |
| FORMULA | C72H118N16O19 |
| MOLECULAR WEIGHT (Da) | 1511.8290 |
| ACCURATE MASS (Da) | 1510.8759 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericellopsis |
| ORIGIN SPECIES | donezkii |
| InChIKey | AEIHZHIUHVEFKY-UHFFFAOYSA-N |
| InChI | InChI=1S/C72H118N16O19/c1-37(2)29-46(77-50(94)33-74-57(99)51(38(3)4)79-60(102)67(10,11)84-63(105)70(16,17)85-61(103)69(14,15)83-58(100)52(39(5)6)75-40(7)90)54(96)80-68(12,13)62(104)86-72(20,21)65(107)87-34-43(91)31-47(87)55(97)78-45(27-28-49(73)93)53(95)81-71(18,19)64(106)88-35-44(92)32-48(88)56(98)82-66(8,9)59(101)76-42(36-89)30-41-25-23-22-24-26-41/h22-26,37-39,42-48,51-52,89,91-92H,27-36H2,1-21H3,(H2,73,93)(H,74,99)(H,75,90)(H,76,101)(H,77,94)(H,78,97)(H,79,102)(H,80,96)(H,81,95)(H,82,98)(H,83,100)(H,84,105)(H,85,103)(H,86,104) |
| SMILES | CC(C)CC(C(=O)NC(C)(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)NC(CC3=CC=CC=C3)CO)O)O)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 |
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 |
