Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA006299
PROPERTIES
NPAID | NPA006299 |
---|---|
CLUSTER ID | 2946 |
NODE ID | 2262 |
NAME | Venturicidin A |
FORMULA | C41H67NO11 |
MOLECULAR WEIGHT (Da) | 749.9830 |
ACCURATE MASS (Da) | 749.4714 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | aureofaciens, strain Tu 342 |
InChIKey | HHQKNFDAEDTRJK-LIOWZGMGSA-N |
InChI | InChI=1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15+,24-13+/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,41+/m0/s1 |
SMILES | CCC(=O)[C@@H](C)[C@H]([C@H](C)C[C@@H](C)[C@@H]1[C@@H](C[C@H](/C=C/[C@@H](CCC/C=C(/[C@@H]2C(=CC[C@@](O2)(CC(=O)O1)O)C)\C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)OC(=O)N)C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Brufani, M; Cerrini, S; Fedeli, W; Musu, C; Cellai, L; Keller-Schierlein, W Structures of the venturicidins A and B Cellular and Molecular Life Sciences 1971 27 (5) 604-606. | ||
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DOI | 10.1007/bf02147627 | PMID | 5002371 |