Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013799
PROPERTIES
| NPAID | NPA013799 |
|---|---|
| CLUSTER ID | 365 |
| NODE ID | 329 |
| NAME | Pneumocandin B0 |
| FORMULA | C50H80N8O17 |
| MOLECULAR WEIGHT (Da) | 1065.2290 |
| ACCURATE MASS (Da) | 1064.5641 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Glarea |
| ORIGIN SPECIES | lozoyensis |
| InChIKey | DQXPFAADCTZLNL-HDLADETGSA-N |
| InChI | InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1 |
| SMILES | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schwartz, Robert E; Sesin, David F; Joshua, Henry; Wilson, Kenneth E; Kempf, August J; Goklen, Kent A; Kuehner, Daniel; Gailliot, Patrick; Gleason, Carolyn; WHITE, RAYMOND; others Pneumocandins from Zalerion arboricola. I. DISCOVERY AND ISOLATION Journal of Antibiotics 1992 45 (12) 1853-1866. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1853 | PMID | 1490876 |
