Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA029677
PROPERTIES
NPAID | NPA029677 |
---|---|
CLUSTER ID | 8732 |
NODE ID | 3236 |
NAME | Irijimaside A |
FORMULA | C33H52O10 |
MOLECULAR WEIGHT (Da) | 608.7690 |
ACCURATE MASS (Da) | 608.3560 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Okeania |
ORIGIN SPECIES | sp. ym-v-63 (LC437088) |
InChIKey | JCLQPEUFPXPOSV-BEIRGMQJSA-N |
InChI | InChI=1S/C33H52O10/c1-9-10-11-12-13-14-15-24-16-20(2)17-25(37-6)18-26-21(3)27(19-33(36,43-26)22(4)31(35)41-24)42-32-30(39-8)29(38-7)28(34)23(5)40-32/h9,12-15,17,21-30,32,34,36H,1,10-11,16,18-19H2,2-8H3/b13-12+,15-14+,20-17+/t21-,22-,23+,24-,25-,26+,27+,28+,29-,30-,32+,33+/m1/s1 |
SMILES | C=CCC/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. | ||
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DOI | 10.1021/acs.jnatprod.0c00042 | PMID | 32267694 |