Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014817
PROPERTIES
| NPAID | NPA014817 |
|---|---|
| CLUSTER ID | 2448 |
| NODE ID | 1921 |
| NAME | Diapolycopenedioic acid xylosyl ester B |
| FORMULA | C50H72O9 |
| MOLECULAR WEIGHT (Da) | 817.1170 |
| ACCURATE MASS (Da) | 816.5176 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Rubritalea |
| ORIGIN SPECIES | squalenifaciens |
| InChIKey | ZBOMTHMFCQJEHX-LDKDXUOYSA-N |
| InChI | InChI=1S/C50H72O9/c1-9-37(2)24-16-14-12-10-11-13-15-17-35-45(52)58-47-46(53)44(51)36-57-50(47)59-49(56)43(8)34-23-32-41(6)30-21-28-39(4)26-19-18-25-38(3)27-20-29-40(5)31-22-33-42(7)48(54)55/h18-23,25-34,37,44,46-47,50-51,53H,9-17,24,35-36H2,1-8H3,(H,54,55)/b19-18+,27-20+,28-21+,31-22+,32-23+,38-25+,39-26+,40-29+,41-30+,42-33+,43-34+/t37?,44-,46-,47?,50+/m1/s1 |
| SMILES | CCC(C)CCCCCCCCCCC(=O)OC1[C@@H]([C@@H](CO[C@H]1OC(=O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)/C)/C)/C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shindo, Kazutoshi; Asagi, Emiko; Sano, Aya; Hotta, Eri; Minemura, Noriko; Mikami, Kanae; Tamesada, Emiko; Misawa, Norihiko; Maoka, Takashi Diapolycopenedioic Acid Xylosyl Esters A, B and C, Novel Antioxidative Glyco-C30-carotenoic Acids Produced by a New Marine Bacterium Rubritalea squalenifaciens Journal of Antibiotics 2008 61 (3) 185-191. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2008.28 | PMID | 18503197 |
