Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000671
PROPERTIES
| NPAID | NPA000671 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | L-691936 |
| FORMULA | C51H82N8O15 |
| MOLECULAR WEIGHT (Da) | 1047.2580 |
| ACCURATE MASS (Da) | 1046.5900 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Zalerion |
| ORIGIN SPECIES | arboricola |
| InChIKey | PMBUXEBEPGKBPM-GJNUVZHBSA-N |
| InChI | InChI=1S/C51H82N8O15/c1-6-27(2)19-28(3)13-11-9-7-8-10-12-14-40(67)54-35-21-33(62)24-53-49(72)44-45(68)29(4)25-59(44)51(74)43(38(65)23-39(52)66)57-48(71)42(37(64)20-31-15-17-32(61)18-16-31)56-47(70)36-22-34(63)26-58(36)50(73)41(30(5)60)55-46(35)69/h15-18,27-30,33-38,41-45,60-65,68H,6-14,19-26H2,1-5H3,(H2,52,66)(H,53,72)(H,54,67)(H,55,69)(H,56,70)(H,57,71)/t27?,28?,29-,30+,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-,45-/m0/s1 |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2[C@H]([C@H](CN2C(=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](CC4=CC=C(C=C4)O)O)[C@@H](CC(=O)N)O)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | SCHMATZ, D. M.; ABRUZZO, G.; POWLES, M. A.; MCFADDEN, D. C.; BALKOVEC, J. M.; BLACK, R. M.; NOLLSTADT, K.; BARTIZAL, K. Pneumocandins from Zalerion arboricola. IV. Biological evaluation of natural and semisynthetic pneumocandins for activity against Pneumocystis carinii and Candida species Journal of Antibiotics 1992 45 (12) 1886-1891. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1886 | PMID | 1490879 |
