Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005435792 | Gold | 3 |
COMPOUND NPA029909
PROPERTIES
| NPAID | NPA029909 |
|---|---|
| CLUSTER ID | 8780 |
| NODE ID | 5926 |
| NAME | Polycavernoside D |
| FORMULA | C42H66O15 |
| MOLECULAR WEIGHT (Da) | 810.9750 |
| ACCURATE MASS (Da) | 810.4402 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | sp. |
| InChIKey | PREVICKMOYICEF-GUVNQLGSSA-N |
| InChI | InChI=1S/C42H66O15/c1-10-11-12-13-14-15-16-17-29-40(3,4)32-18-24(2)42(47,57-32)28(43)19-25-20-30(41(5,6)31(53-25)21-33(44)54-29)55-39-37(50-9)36(27(49-8)23-52-39)56-38-35(46)34(45)26(48-7)22-51-38/h12-17,24-27,29-32,34-39,45-47H,10-11,18-23H2,1-9H3/b13-12+,15-14+,17-16+/t24-,25-,26-,27-,29?,30+,31+,32-,34+,35-,36+,37-,38+,39+,42?/m1/s1 |
| SMILES | CCC/C=C/C=C/C=C/C1OC(=O)C[C@@H]2O[C@H](CC(=O)C3(O)O[C@H](C[C@H]3C)C1(C)C)C[C@H](O[C@@H]1OC[C@@H](OC)[C@H](O[C@@H]3OC[C@@H](OC)[C@H](O)[C@H]3O)[C@H]1OC)C2(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Navarro G; Cummings S; Lee J; Moss N; Glukhov E; Valeriote F; Gerwick L; Gerwick W Isolation of Polycavernoside D from a Marine Cyanobacterium Environmental Science & Technology Letters 2015 2 (7) 166-170. | ||
|---|---|---|---|
| DOI | 10.1021/acs.estlett.5b00116 | PMID | - |
