Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020341
PROPERTIES
NPAID | NPA020341 |
---|---|
CLUSTER ID | 3217 |
NODE ID | 2446 |
NAME | Sporolide A |
FORMULA | C24H23ClO12 |
MOLECULAR WEIGHT (Da) | 538.8890 |
ACCURATE MASS (Da) | 538.0878 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Salinispora |
ORIGIN SPECIES | tropica |
InChIKey | KFIMJAYNUYNRLK-PKIZEOIBSA-N |
InChI | InChI=1S/C24H23ClO12/c1-7-15(29)21-18(33-2)19(31)34-6-10(26)8-3-4-9-13(14(8)25)22-11(27)5-12(28)23(22,16(9)30)35-17(7)24(32,37-22)20(21)36-21/h3-4,10-12,16,18,20,26-28,30,32H,5-6H2,1-2H3/t10-,11+,12+,16+,18-,20+,21+,22?,23?,24+/m0/s1 |
SMILES | CC1=C2[C@@]3([C@H]4[C@](C1=O)(O4)[C@H](C(=O)OC[C@@H](C5=C(C6=C(C=C5)[C@H](C7(C6(O3)[C@@H](C[C@H]7O)O)O2)O)Cl)O)OC)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Buchanan, Greg O; Williams, Philip G; Feling, Robert H; Kauffman, Christopher A; Jensen, Paul R; Fenical, William Sporolides A and B: structurally unprecedented halogenated macrolides from the marine actinomycete Salinispora tropica Organic Letters 2005 7 (13) 2731-2734. | ||
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DOI | 10.1021/ol050901i | PMID | 15957933 |