Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000591
PROPERTIES
NPAID | NPA000591 |
---|---|
CLUSTER ID | 442 |
NODE ID | 400 |
NAME | Cladionol A |
FORMULA | C45H80O16 |
MOLECULAR WEIGHT (Da) | 877.1190 |
ACCURATE MASS (Da) | 876.5446 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Gliocladium |
ORIGIN SPECIES | sp. |
InChIKey | GRDLKOZEWJLCMH-PBNSJOAKSA-N |
InChI | InChI=1S/C45H80O16/c1-13-22(2)14-23(3)15-29(9)43(61-45-42(56)41(55)40(54)35(60-45)21-58-32(12)47)30(10)18-27(7)37(51)25(5)16-24(4)36(50)26(6)17-28(8)38(52)31(11)44(57)59-20-34(49)39(53)33(48)19-46/h16-18,22-23,25-26,29-31,33-43,45-46,48-56H,13-15,19-21H2,1-12H3/b24-16+,27-18+,28-17+/t22?,23?,25?,26?,29?,30?,31?,33-,34-,35-,36?,37?,38?,39-,40-,41+,42+,43?,45+/m1/s1 |
SMILES | CCC(C)CC(C)CC(C)C(C(C)/C=C(\C)/C(C(C)/C=C(\C)/C(C(C)/C=C(\C)/C(C(C)C(=O)OC[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Kasai, Yuu; Komatsu, Kazusei; Shigemori, Hideyuki; Tsuda, Masashi; Mikami, Yuzuru; Kobayashi, Jun'ichi Cladionol A, a polyketide glycoside from marine-derived fungus Gliocladium species Journal of Natural Products 2005 68 (5) 777-779. | ||
---|---|---|---|
DOI | 10.1021/np050046b | PMID | 15921429 |