Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011135
PROPERTIES
| NPAID | NPA011135 |
|---|---|
| CLUSTER ID | 4351 |
| NODE ID | 2113 |
| NAME | Pteratide IV |
| FORMULA | C52H78N8O10 |
| MOLECULAR WEIGHT (Da) | 975.2420 |
| ACCURATE MASS (Da) | 974.5841 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pterula |
| ORIGIN SPECIES | sp. |
| InChIKey | OJPMNLJZJIAKSU-FNOQMQAJSA-N |
| InChI | InChI=1S/C52H78N8O10/c1-17-32(8)43(60(16)51(68)42(31(6)7)59(15)48(65)37-26-22-19-23-27-37)46(63)55-41-35(11)70-52(69)40(30(4)5)54-44(61)33(9)56(12)47(64)34(10)57(13)49(66)39(29(2)3)53-45(62)38(58(14)50(41)67)28-36-24-20-18-21-25-36/h18-27,29-35,38-43H,17,28H2,1-16H3,(H,53,62)(H,54,61)(H,55,63)/t32-,33-,34-,35+,38-,39-,40-,41-,42-,43-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)CC2=CC=CC=C2)C(C)C)C)C)C)C)C(C)C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)C3=CC=CC=C3 |
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 |
