Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012380
PROPERTIES
| NPAID | NPA012380 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | LP237-F5 |
| FORMULA | C65H108N14O16 |
| MOLECULAR WEIGHT (Da) | 1341.6610 |
| ACCURATE MASS (Da) | 1340.8068 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tolypocladium |
| ORIGIN SPECIES | geodes |
| InChIKey | XCWSPRIVWUZECV-SBBCGHSHSA-N |
| InChI | InChI=1S/C65H108N14O16/c1-13-16-17-18-19-22-51(85)75-64(11,12)61(95)79-34-20-21-47(79)57(91)72-46(36-40-23-25-42(81)26-24-40)56(90)77-62(7,8)58(92)73-44(28-31-49(67)83)54(88)71-45(29-32-50(68)84)55(89)76-63(9,10)59(93)78-65(15-3,33-14-2)60(94)74-43(27-30-48(66)82)53(87)69-39(6)52(86)70-41(37-80)35-38(4)5/h23-26,38-39,41,43-47,80-81H,13-22,27-37H2,1-12H3,(H2,66,82)(H2,67,83)(H2,68,84)(H,69,87)(H,70,86)(H,71,88)(H,72,91)(H,73,92)(H,74,94)(H,75,85)(H,76,89)(H,77,90)(H,78,93)/t39-,41-,43-,44-,45-,46-,47-,65-/m0/s1 |
| SMILES | CCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@](CC)(CCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsantrizos, Youla S. Peptaibol metabolites of Tolypocladium geodes Canadian Journal of Chemistry 1996 74 (2) 165-172. | ||
|---|---|---|---|
| DOI | 10.1139/v96-020 | PMID | - |
