Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007178
PROPERTIES
| NPAID | NPA007178 |
|---|---|
| CLUSTER ID | 2732 |
| NODE ID | 2113 |
| NAME | Pteratide I |
| FORMULA | C53H78N8O10 |
| MOLECULAR WEIGHT (Da) | 987.2530 |
| ACCURATE MASS (Da) | 986.5841 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pterula |
| ORIGIN SPECIES | sp. |
| InChIKey | FEZAMWVWAZSVSX-ZBXLCKSXSA-N |
| InChI | InChI=1S/C53H78N8O10/c1-30(2)26-40-49(66)57(12)35(9)47(64)61-29-33(7)27-41(61)50(67)56(11)34(8)45(62)54-39(28-37-22-18-16-19-23-37)48(65)59(14)43(31(3)4)52(69)60(15)44(32(5)6)53(70)71-36(10)42(51(68)58(40)13)55-46(63)38-24-20-17-21-25-38/h16-25,30-36,39-44H,26-29H2,1-15H3,(H,54,62)(H,55,63)/t33-,34+,35+,36-,39+,40+,41+,42+,43+,44+/m1/s1 |
| SMILES | C[C@@H]1C[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2C1)C)C)CC(C)C)C)NC(=O)C3=CC=CC=C3)C)C(C)C)C)C(C)C)C)CC4=CC=CC=C4)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Chien-Hui; Lang, Gerhard; Mitova, Maya I.; Murphy, Annabel C.; Cole, Anthony L. J.; Din, Laily B.; Blunt, John W.; Munro, Murray H. G. Pteratides I-IV, new cytotoxic cyclodepsipeptides from the Malaysian basidiomycete Pterula sp Journal of Organic Chemistry 2006 71 (21) 7947-7951. | ||
|---|---|---|---|
| DOI | 10.1021/jo060843u | PMID | 17025281 |
