Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA019110
PROPERTIES
NPAID | NPA019110 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Aranciamycin |
FORMULA | C27H28O12 |
MOLECULAR WEIGHT (Da) | 544.5090 |
ACCURATE MASS (Da) | 544.1581 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | echinatus |
InChIKey | PGCZNTNNZCKKFG-LJUYJRHKSA-N |
InChI | InChI=1S/C27H28O12/c1-9-17(29)21(33)23(36-3)26(38-9)39-22-16-12(24(34)27(2,35)25(22)37-4)8-11-15(20(16)32)19(31)14-10(18(11)30)6-5-7-13(14)28/h5-9,17,21-23,25-26,28-29,32-33,35H,1-4H3/t9-,17-,21+,22+,23+,25-,26-,27+/m0/s1 |
SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@](C(=O)C3=C2C(=C4C(=C3)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)OC)OC)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Schmidt-Bäse, K; Noltemeyer, M; Egert, ERNST; Eigelt, E; Zeeck, A Structure of the anthracycline antibiotic aranciamycin Acta Crystallographica Section C: Crystal Structure Communications 1993 49 (2) 250-253. | ||
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DOI | 10.1107/s0108270192005766 | PMID | - |