Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA015842
PROPERTIES
NPAID | NPA015842 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Aquastatin C |
FORMULA | C29H48O9 |
MOLECULAR WEIGHT (Da) | 540.6940 |
ACCURATE MASS (Da) | 540.3298 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Sporothrix |
ORIGIN SPECIES | sp. FN611 |
InChIKey | IEOWNZSZBOOCHK-UIGAIOKKSA-N |
InChI | InChI=1S/C29H48O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(18-22(31)24(20)28(35)36-2)37-29-27(34)26(33)25(32)23(19-30)38-29/h17-18,23,25-27,29-34H,3-16,19H2,1-2H3/t23-,25+,26+,27-,29-/m1/s1 |
SMILES | CCCCCCCCCCCCCCCC1=CC(=CC(=C1C(=O)OC)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Kwon, Yun-Ju; Sohn, Mi-Jin; Kim, Won-Gon Aquastatin C, a new glycoaromatic derivative from Sporothrix sp. FN611 Journal of Antibiotics 2011 64 (2) 213-216. | ||
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DOI | 10.1038/ja.2010.156 | PMID | 21139622 |