Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020602
PROPERTIES
| NPAID | NPA020602 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aureobasidin S4 |
| FORMULA | C60H92N8O12 |
| MOLECULAR WEIGHT (Da) | 1117.4400 |
| ACCURATE MASS (Da) | 1116.6835 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aureobasidium |
| ORIGIN SPECIES | pullulans R106 |
| InChIKey | AUIRGWHYLWLLAZ-ULKGMILMSA-N |
| InChI | InChI=1S/C60H92N8O12/c1-17-37(8)46-57(76)65(14)47(35(4)5)52(71)61-42(31-34(2)3)55(74)67(16)50(60(11,12)79)59(78)80-49(38(9)39(10)69)58(77)66(15)48(36(6)7)53(72)62-43(32-40-25-20-18-21-26-40)54(73)64(13)45(33-41-27-22-19-23-28-41)56(75)68-30-24-29-44(68)51(70)63-46/h18-23,25-28,34-39,42-50,69,79H,17,24,29-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38+,39-,42+,43+,44-,45-,46+,47+,48-,49-,50-/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)[C@@H](C)O)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 |
