Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015074
PROPERTIES
| NPAID | NPA015074 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | CRM646-B |
| FORMULA | C37H52O13 |
| MOLECULAR WEIGHT (Da) | 704.8100 |
| ACCURATE MASS (Da) | 704.3408 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | STVGNKQOIYIMAK-IFOJLSRYSA-N |
| InChI | InChI=1S/C37H52O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-25(49-37-32(42)30(40)31(41)33(50-37)36(46)47-3)21-27(39)29(23)35(45)48-24-18-22(2)28(34(43)44)26(38)20-24/h18-21,30-33,37-42H,4-17H2,1-3H3,(H,43,44)/t30-,31-,32+,33-,37+/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)OC)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 |
