Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020605
PROPERTIES
| NPAID | NPA020605 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aureobasidin S2a |
| FORMULA | C60H92N8O12 |
| MOLECULAR WEIGHT (Da) | 1117.4400 |
| ACCURATE MASS (Da) | 1116.6835 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aureobasidium |
| ORIGIN SPECIES | pullulans R106 |
| InChIKey | AZWNOPVZWSHWAA-URQULGPXSA-N |
| InChI | InChI=1S/C60H92N8O12/c1-17-37(9)46-57(76)65(14)47(35(5)6)52(71)61-42(31-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)66(15)48(36(7)8)53(72)62-43(32-39-23-20-19-21-24-39)54(73)64(13)45(33-40-26-28-41(69)29-27-40)56(75)68-30-22-25-44(68)51(70)63-46/h19-21,23-24,26-29,34-38,42-50,69,79H,17-18,22,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38-,42+,43+,44-,45-,46-,47+,48-,49-,50+/m0/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=C(C=C3)O)C)CC4=CC=CC=C4)C(C)C)C)[C@@H](C)CC)C(C)(C)O)C)CC(C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yoshikawa Y; Ikai K; Umeda Y; Ogawa A; Takesako K; Kato I; Naganawa H ISOLATION, STRUCTURES, AND ANTIFUNGAL ACTIVITIES OF NEW AUREOBASIDINS Journal of Antibiotics 1993 46 (9) 1347-1354. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1347 | PMID | 8226313 |
