Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000845340 | Gold | 1 |
| CCMSLIB00012137170 | Gold | 4 |
| CCMSLIB00009976967 | Gold | 4 |
COMPOUND NPA011779
PROPERTIES
| NPAID | NPA011779 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | CRM646-A |
| FORMULA | C36H50O13 |
| MOLECULAR WEIGHT (Da) | 690.7830 |
| ACCURATE MASS (Da) | 690.3251 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | PNRVAHOSWLWYPO-QJUVDKAYSA-N |
| InChI | InChI=1S/C36H50O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(48-36-31(41)29(39)30(40)32(49-36)34(44)45)20-26(38)28(22)35(46)47-23-17-21(2)27(33(42)43)25(37)19-23/h17-20,29-32,36-41H,3-16H2,1-2H3,(H,42,43)(H,44,45)/t29-,30-,31+,32-,36+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ko, H R; Kim, B Y; Oh, W K; Kang, D O; Lee, H S; Koshino, H; Osada, H; Mheen, T I; Ahn, J S CRM646-A and -B, novel fungal metabolites that inhibit heparinase Journal of Antibiotics 2000 53 (2) 211-214. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.53.211 | PMID | 10805586 |
SYNTHESES
| CITATION 1 | Wang P; Zhang Z; Yu B Total synthesis of CRM646-A and -B, two fungal glucuronides with potent heparinase inhibition activities. Journal of Organic Chemistry 2005 70 (22) 8884-9. DOI: 10.1021/jo051384k PMID: 16238322 | ||
|---|---|---|---|
