Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001011
PROPERTIES
| NPAID | NPA001011 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Chrysaibol |
| FORMULA | C77H125N19O19 |
| MOLECULAR WEIGHT (Da) | 1620.9610 |
| ACCURATE MASS (Da) | 1619.9399 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sepedonium |
| ORIGIN SPECIES | chrysospermum |
| InChIKey | IPCNUNZLKUHWAZ-WGRFOCSXSA-N |
| InChI | InChI=1S/C77H125N19O19/c1-39(2)34-50(88-67(111)73(11,12)93-68(112)75(15,16)91-63(107)52(83-43(8)98)36-44-37-81-46-25-22-21-24-45(44)46)60(104)89-57(41(5)6)65(109)85-49(29-32-56(80)101)61(105)90-74(13,14)69(113)95-76(17,18)70(114)94-72(9,10)66(110)87-48(28-31-55(79)100)59(103)86-51(35-40(3)4)62(106)92-77(19,20)71(115)96-33-23-26-53(96)64(108)84-47(27-30-54(78)99)58(102)82-42(7)38-97/h21-22,24-25,37,39-42,47-53,57,81,97H,23,26-36,38H2,1-20H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,102)(H,83,98)(H,84,108)(H,85,109)(H,86,103)(H,87,110)(H,88,111)(H,89,104)(H,90,105)(H,91,107)(H,92,106)(H,93,112)(H,94,114)(H,95,113)/t42-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mitova, Maya I.; Murphy, Annabel C.; Lang, Gerhard; Blunt, John W.; Cole, Anthony L. J.; Ellis, Gill; Munro, Murray H. G. Evolving trends in the dereplication of natural product extracts. 2. The isolation of chrysaibol, an antibiotic peptaibol from a New Zealand sample of the mycoparasitic fungus Sepedonium chrysospermum Journal of Natural Products 2008 71 (9) 1600-1603. | ||
|---|---|---|---|
| DOI | 10.1021/np800221b | PMID | 18702471 |
