Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA011087
PROPERTIES
NPAID | NPA011087 |
---|---|
CLUSTER ID | 4351 |
NODE ID | 3201 |
NAME | Borrelidin |
FORMULA | C28H43NO6 |
MOLECULAR WEIGHT (Da) | 489.6530 |
ACCURATE MASS (Da) | 489.3090 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | rochei |
InChIKey | OJCKRNPLOZHAOU-UGKRXNSESA-N |
InChI | InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1 |
SMILES | C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C\C=C\C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Keller‐Schierlein, W Metabolic products of microorganisms. Concerning the constitution of borrelidin Helvetica Chimica Acta 1967 50 (3) 731-753. | ||
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DOI | 10.1002/hlca.19670500303 | PMID | 5584833 |