Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015776
PROPERTIES
| NPAID | NPA015776 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptoline CB071 |
| FORMULA | C48H75ClN10O13 |
| MOLECULAR WEIGHT (Da) | 1035.6380 |
| ACCURATE MASS (Da) | 1034.5204 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Aphanocapsa |
| ORIGIN SPECIES | sp. strain KNU MAL-CB071 |
| InChIKey | NCIYGUIDUVAJPC-AZARJOBUSA-N |
| InChI | InChI=1S/C48H75ClN10O13/c1-9-11-12-15-35(60)53-31(18-21-37(62)63)42(65)57-39-27(6)72-47(70)38(25(3)4)56-43(66)33(24-28-16-19-34(71-8)29(49)23-28)58(7)46(69)40(26(5)10-2)59-36(61)20-17-32(45(59)68)55-41(64)30(54-44(39)67)14-13-22-52-48(50)51/h16,19,23,25-27,30-33,36,38-40,61H,9-15,17-18,20-22,24H2,1-8H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)/t26-,27+,30-,31-,32?,33-,36+,38?,39+,40?/m0/s1 |
| SMILES | CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1[C@H](OC(=O)C(NC(=O)[C@@H](N(C(=O)C(N2[C@@H](CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCN=C(N)N)O)[C@@H](C)CC)C)CC3=CC(=C(C=C3)OC)Cl)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Choi, Hyukjae; Oh, Sun Kwan; Yih, Wonho; Chin, Jungwook; Kang, Heonjoong; Rho, Jung-Rae Cyanopeptoline CB071: A Cyclic Depsipeptide Isolated from the Freshwater Cyanobacterium Aphanocapsa sp Chemical and Pharmaceutical Bulletin 2008 56 (8) 1191-1193. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.56.1191 | PMID | 18670126 |
