Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000310
PROPERTIES
| NPAID | NPA000310 |
|---|---|
| CLUSTER ID | 260 |
| NODE ID | 237 |
| NAME | Chaetocochin J |
| FORMULA | C31H30N6O6S4 |
| MOLECULAR WEIGHT (Da) | 710.8850 |
| ACCURATE MASS (Da) | 710.1110 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chaetomium |
| ORIGIN SPECIES | globosum |
| InChIKey | DNOIOYRQDAJQMV-QMKBPJJVSA-N |
| InChI | InChI=1S/C31H30N6O6S4/c1-33-23(15-38)25(41)37-22(24(33)40)13-29(19-9-5-6-10-20(19)32-26(29)37)36-14-17(18-8-4-7-11-21(18)36)12-30-27(42)35(3)31(16-39,28(43)34(30)2)45-47-46-44-30/h4-11,13-14,23,26,32,38-39H,12,15-16H2,1-3H3/t23?,26-,29?,30+,31+/m1/s1 |
| SMILES | CN1C(C(=O)N2[C@@H]3C(C=C2C1=O)(C4=CC=CC=C4N3)N5C=C(C6=CC=CC=C65)C[C@]78C(=O)N([C@](C(=O)N7C)(SSSS8)CO)C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Guo-Bo; He, Gu; Bai, Huan-Huan; Yang, Tao; Zhang, Guo-Lin; Wu, Lin-Wei; Li, Guo-You Indole Alkaloids from Chaetomium globosum Journal of Natural Products 2015 78 (7) 1479-1485. | ||
|---|---|---|---|
| DOI | 10.1021/np5007235 | PMID | 26125976 |
