Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001537
PROPERTIES
| NPAID | NPA001537 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Gliocladine B |
| FORMULA | C30H28N6O6S6 |
| MOLECULAR WEIGHT (Da) | 760.9920 |
| ACCURATE MASS (Da) | 760.0395 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Gliocladium |
| ORIGIN SPECIES | roseum |
| InChIKey | IRLKNNGUSBXLNJ-DVVXIOMLSA-N |
| InChI | InChI=1S/C30H28N6O6S6/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-48-47-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26-,27?,28+,29-,30-/m0/s1 |
| SMILES | C[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SSSS2)O)(C5=CC=CC=C5N4)C67[C@@H]([C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SS9)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dong, Jin-Yan; He, Hong-Ping; Shen, Yue-Mao; Zhang, Ke-Qin Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum Journal of Natural Products 2005 68 (10) 1510-1513. | ||
|---|---|---|---|
| DOI | 10.1021/np0502241 | PMID | 16252916 |
