Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA028334
PROPERTIES
NPAID | NPA028334 |
---|---|
CLUSTER ID | 736 |
NODE ID | 642 |
NAME | Cylindrocyclophane E |
FORMULA | C38H58O6 |
MOLECULAR WEIGHT (Da) | 610.8760 |
ACCURATE MASS (Da) | 610.4233 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Cylindrospermum |
ORIGIN SPECIES | licheniforme |
InChIKey | FVCCCELSDGJJMK-QYBUPKPRSA-N |
InChI | InChI=1S/C38H58O6/c1-6-8-16-29-19-13-11-15-26(4)38(44-27(5)39)31-23-34(42)37(35(43)24-31)30(17-9-7-2)18-12-10-14-25(3)20-28-21-32(40)36(29)33(41)22-28/h21-26,29-30,38,40-43H,6-20H2,1-5H3/t25-,26-,29-,30-,38+/m0/s1 |
SMILES | CCCC[C@H]1CCCC[C@H](C)CC2=CC(O)=C(C(O)=C2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)C2=CC(O)=C1C(O)=C2 |
ORIGINAL ISOLATION REFERENCE
CITATION | Moore B;Chen J;Patterson G;Moore R Structures of cylindrocyphanes A-F Tetrahedron 1992 48 (15) 3001-3006. | ||
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DOI | 10.1016/s0040-4020(01)92244-6 | PMID | - |