Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029681
PROPERTIES
| NPAID | NPA029681 |
|---|---|
| CLUSTER ID | 8732 |
| NODE ID | 3236 |
| NAME | Irijimaside E |
| FORMULA | C34H52O10 |
| MOLECULAR WEIGHT (Da) | 620.7800 |
| ACCURATE MASS (Da) | 620.3560 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | sp. ym-v-63 (LC437088) |
| InChIKey | YQERPKLJJWCIGK-WOCFDKNGSA-N |
| InChI | InChI=1S/C34H52O10/c1-9-10-11-12-13-14-15-16-25-17-21(2)18-26(38-6)19-27-22(3)28(20-34(37,44-27)23(4)32(36)42-25)43-33-31(40-8)30(39-7)29(35)24(5)41-33/h1,13-16,18,22-31,33,35,37H,10-12,17,19-20H2,2-8H3/b14-13+,16-15+,21-18+/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,33+,34+/m1/s1 |
| SMILES | C#CCCC/C=C/C=C/[C@@H]1C/C(C)=C/[C@@H](OC)C[C@@H]2O[C@@](O)(C[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]3OC)[C@@H]2C)[C@H](C)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iwasaki, Arihiro; Natsume, Noriyuki; Suenaga, Kiyotake; Sumimoto, Shimpei; Teruya, Toshiaki; Yamada, Miki; Yamano, Aki Irijimasides A-E, Macrolide Glycosides from an Okeania sp. Marine Cyanobacterium Journal of Natural Products 2020 83 (5) 1585-1591. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00042 | PMID | 32267694 |
