Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00011428640 | Gold | 3 |
COMPOUND NPA010654
PROPERTIES
| NPAID | NPA010654 |
|---|---|
| CLUSTER ID | 57 |
| NODE ID | 53 |
| NAME | Chaetoglobosin E |
| FORMULA | C32H38N2O5 |
| MOLECULAR WEIGHT (Da) | 530.6650 |
| ACCURATE MASS (Da) | 530.2781 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chaetomium |
| ORIGIN SPECIES | globosum |
| InChIKey | FPNAKNFLJIQADW-CNYNBRRPSA-N |
| InChI | InChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,23,25-26,28,30,33,35,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,23-,25-,26-,28-,30+,32+/m0/s1 |
| SMILES | C[C@H]\1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@@]2(C(=O)CC[C@@H](C(=O)/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sekita, Setsuko; Yoshihira, Kunitoshi; Natori, Shinsaku; Kuwano, Harumitsu Structures of chaetoglobosins C, D, E, and F, cytotoxic indol-3-yl-[13] cytochalasans from Chaetomium globosum Tetrahedron Letters 1976 17 (17) 1351-1354. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)78062-2 | PMID | - |
