Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008577
PROPERTIES
| NPAID | NPA008577 |
|---|---|
| CLUSTER ID | 3654 |
| NODE ID | 90 |
| NAME | Colletotrichin |
| FORMULA | C28H42O7 |
| MOLECULAR WEIGHT (Da) | 490.6370 |
| ACCURATE MASS (Da) | 490.2931 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Colletotrichum |
| ORIGIN SPECIES | nicotianae |
| InChIKey | IUNGBSYMDFEAMS-KPRONASWSA-N |
| InChI | InChI=1S/C28H42O7/c1-16-9-10-20-27(5,12-11-21(29)28(20,6)14-13-26(3,4)32)19(16)15-18-23(30)22(24(31)33-7)17(2)35-25(18)34-8/h19-21,29,32H,1,9-15H2,2-8H3/t19-,20-,21-,27-,28+/m0/s1 |
| SMILES | CC1=C(C(=O)C(=C(O1)OC)C[C@H]2C(=C)CC[C@H]3[C@]2(CC[C@@H]([C@]3(C)CCC(C)(C)O)O)C)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kimura, Yasuo; Gohbara, Masatoshi; Suzuki, Akinori Assignment of 13C-nmr spectrum and biosynthesis of colletotrichin Tetrahedron Letters 1977 18 (52) 4615-4618. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(01)83583-8 | PMID | - |
