Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014329
PROPERTIES
| NPAID | NPA014329 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | T987 B |
| FORMULA | C40H55N5O7 |
| MOLECULAR WEIGHT (Da) | 717.9080 |
| ACCURATE MASS (Da) | 717.4101 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cladobotryum |
| ORIGIN SPECIES | sp. |
| InChIKey | HCOTXJLNZFZNAB-DDRXXTSWSA-N |
| InChI | InChI=1S/C40H55N5O7/c1-26(2)23-33-39(50)45-22-14-19-31(45)37(48)42-30(24-28-15-9-7-10-16-28)38(49)44(6)35(27(3)4)40(51)43(5)32(25-29-17-11-8-12-18-29)36(47)41-21-13-20-34(46)52-33/h7-12,15-18,26-27,30-33,35H,13-14,19-25H2,1-6H3,(H,41,47)(H,42,48)/t30-,31-,32-,33-,35-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCCC(=O)O1)CC3=CC=CC=C3)C)C(C)C)C)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Feng, Yunjiang; Blunt, John W.; Cole, Anthony L. J.; Cannon, John F.; Robinson, Ward T.; Munro, Murray H. G. Two novel cytotoxic cyclodepsipeptides from a mycoparasitic Cladobotryum sp Journal of Organic Chemistry 2003 68 (5) 2002-2005. | ||
|---|---|---|---|
| DOI | 10.1021/jo0263059 | PMID | 12608823 |
