Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020604
PROPERTIES
| NPAID | NPA020604 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aureobasidin S2b |
| FORMULA | C60H92N8O12 |
| MOLECULAR WEIGHT (Da) | 1117.4400 |
| ACCURATE MASS (Da) | 1116.6835 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aureobasidium |
| ORIGIN SPECIES | pullulans R106 |
| InChIKey | SJMVYAHBOJDUII-VOHMGLQJSA-N |
| InChI | InChI=1S/C60H92N8O12/c1-16-38(8)46-57(76)65(13)47(36(4)5)52(71)61-42(32-35(2)3)55(74)67(15)50(60(10,11)79)59(78)80-49(39(9)29-31-69)58(77)66(14)48(37(6)7)53(72)62-43(33-40-24-19-17-20-25-40)54(73)64(12)45(34-41-26-21-18-22-27-41)56(75)68-30-23-28-44(68)51(70)63-46/h17-22,24-27,35-39,42-50,69,79H,16,23,28-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,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=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@@H](C)CCO)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 |
