Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005843
PROPERTIES
| NPAID | NPA005843 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Petrosifungin B |
| FORMULA | C33H45N5O8 |
| MOLECULAR WEIGHT (Da) | 639.7500 |
| ACCURATE MASS (Da) | 639.3268 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | brevicompactum |
| InChIKey | RQAOOOGBRZTWIS-VUXQNLRASA-N |
| InChI | InChI=1S/C33H45N5O8/c1-19(2)26-32(44)37-18-8-11-24(37)30(42)36-16-6-4-9-23(36)31(43)38-17-7-5-10-25(38)33(45)46-20(3)27(29(41)34-26)35-28(40)21-12-14-22(39)15-13-21/h12-15,19-20,23-27,39H,4-11,16-18H2,1-3H3,(H,34,41)(H,35,40)/t20-,23+,24+,25+,26+,27+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCCC[C@H]3C(=O)N4CCCC[C@H]4C(=O)O1)C(C)C)NC(=O)C5=CC=C(C=C5)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bringmann, Gerhard; Lang, Gerhard; Steffens, Stefan; Schaumann, Karsten Petrosifungins A and B, Novel Cyclodepsipeptides from a Sponge-Derived Strain of Penicillium brevicompactum Journal of Natural Products 2004 67 (3) 311-315. | ||
|---|---|---|---|
| DOI | 10.1021/np034015x | PMID | 15043401 |
