Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018240
PROPERTIES
| NPAID | NPA018240 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Ampullosporin E3 |
| FORMULA | C75H123N19O19 |
| MOLECULAR WEIGHT (Da) | 1594.9230 |
| ACCURATE MASS (Da) | 1593.9243 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sepedonium |
| ORIGIN SPECIES | ampullosporum HKI-0053 |
| InChIKey | FXJYHOLPXZUKSS-UHFFFAOYSA-N |
| InChI | InChI=1S/C75H123N19O19/c1-37(2)31-45(36-95)84-60(103)48(25-28-54(76)97)85-57(100)40(7)80-62(105)51(32-38(3)4)87-61(104)49(26-29-55(77)98)86-58(101)41(8)82-66(109)72(13,14)93-70(113)75(19,20)91-64(107)50(27-30-56(78)99)88-67(110)71(11,12)92-65(108)52(33-39(5)6)89-68(111)73(15,16)94-69(112)74(17,18)90-59(102)42(9)81-63(106)53(83-43(10)96)34-44-35-79-47-24-22-21-23-46(44)47/h21-24,35,37-42,45,48-53,79,95H,25-34,36H2,1-20H3,(H2,76,97)(H2,77,98)(H2,78,99)(H,80,105)(H,81,106)(H,82,109)(H,83,96)(H,84,103)(H,85,100)(H,86,101)(H,87,104)(H,88,110)(H,89,111)(H,90,102)(H,91,107)(H,92,108)(H,93,113)(H,94,112) |
| SMILES | CC(C)CC(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(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 |
