Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003792
PROPERTIES
| NPAID | NPA003792 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Ampullosporin C |
| FORMULA | C76H125N19O19 |
| MOLECULAR WEIGHT (Da) | 1608.9500 |
| ACCURATE MASS (Da) | 1607.9399 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sepedonium |
| ORIGIN SPECIES | ampullosporum HKI-0053 |
| InChIKey | HEFSVWRWNZCEMK-UHFFFAOYSA-N |
| InChI | InChI=1S/C76H125N19O19/c1-38(2)32-45(37-96)84-59(103)48(26-29-54(77)98)86-67(111)73(14,15)93-63(107)51(33-39(3)4)85-60(104)49(27-30-55(78)99)87-66(110)72(12,13)90-58(102)42(8)82-65(109)71(10,11)92-62(106)50(28-31-56(79)100)88-68(112)74(16,17)94-64(108)52(34-40(5)6)89-69(113)75(18,19)95-70(114)76(20,21)91-57(101)41(7)81-61(105)53(83-43(9)97)35-44-36-80-47-25-23-22-24-46(44)47/h22-25,36,38-42,45,48-53,80,96H,26-35,37H2,1-21H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,81,105)(H,82,109)(H,83,97)(H,84,103)(H,85,104)(H,86,111)(H,87,110)(H,88,112)(H,89,113)(H,90,102)(H,91,101)(H,92,106)(H,93,107)(H,94,108)(H,95,114) |
| SMILES | CC(C)CC(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CC1=CNC2=C1C=CC=C2)NC(C)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | KRONEN, MATTHIAS; KLEINWÄCHTER, PETER; SCHLEGEL, BRIGITTE; HÄRTL, ALBERT; GRÄFE, UDO Ampullosporins B, C, D, E1, E2, E3, and E4, from Sepedonium ampullosporum HKI-0053. Structures and Biological Activities Journal of Antibiotics 2001 54 (2) 175-178. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.175 | PMID | 11302491 |
