Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024603
PROPERTIES
| NPAID | NPA024603 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Aureobasidin A |
| FORMULA | C60H92N8O11 |
| MOLECULAR WEIGHT (Da) | 1101.4410 |
| ACCURATE MASS (Da) | 1100.6886 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aureobasidium |
| ORIGIN SPECIES | pullulans R106 |
| InChIKey | RLMLFADXHJLPSQ-QKCBWMAHSA-N |
| InChI | InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,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)CC)C(C)(C)O)C)CC(C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ikai K; Takesako K; Shiomi K; Moriguchi M; Umeda Y; Yamamoto J; Kato I; Naganawa H Structure of aureobasidin A. Journal of Antibiotics 1991 44 (9) 925-933. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.44.925 | PMID | 1938614 |
