Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014690
PROPERTIES
| NPAID | NPA014690 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aureobasidin T2 |
| FORMULA | C61H94N8O11 |
| MOLECULAR WEIGHT (Da) | 1115.4680 |
| ACCURATE MASS (Da) | 1114.7042 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aureobasidium |
| ORIGIN SPECIES | pullulans R106.1 |
| InChIKey | FJECLCXYPCUACP-ANXDLXJGSA-N |
| InChI | InChI=1S/C61H94N8O11/c1-17-39(9)48-58(76)65(13)46(33-37(5)6)53(71)62-43(32-36(3)4)56(74)68(16)51(61(11,12)79)60(78)80-50(40(10)18-2)59(77)67(15)49(38(7)8)54(72)63-44(34-41-26-21-19-22-27-41)55(73)66(14)47(35-42-28-23-20-24-29-42)57(75)69-31-25-30-45(69)52(70)64-48/h19-24,26-29,36-40,43-51,79H,17-18,25,30-35H2,1-16H3,(H,62,71)(H,63,72)(H,64,70)/t39-,40-,43+,44+,45+,46+,47+,48+,49+,50-,51-/m1/s1 |
| SMILES | CC[C@@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@H](C)CC)C(C)(C)O)C)CC(C)C)CC(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Awazu, N; Ikai, K; Yamamoto, J; Nishimura, K; Mizutani, S; Takesako, K; Kato, I Structures and antifungal activities of new aureobasidins Journal of Antibiotics 1995 48 (6) 525-527. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.525 | PMID | 7622442 |
