Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008978
PROPERTIES
| NPAID | NPA008978 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Hofmannolin |
| FORMULA | C54H71N7O15 |
| MOLECULAR WEIGHT (Da) | 1058.1960 |
| ACCURATE MASS (Da) | 1057.5008 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | hofmanni |
| InChIKey | TZSKHHZFSLGYTL-NMYIURRESA-N |
| InChI | InChI=1S/C54H71N7O15/c1-8-30(4)46(66)51(71)55-37(23-25-43(64)65)47(67)59-45-31(5)76-54(74)44(29(2)3)58-49(69)40(27-33-14-18-35(62)19-15-33)60(6)53(73)41(28-34-16-20-36(75-7)21-17-34)61-42(63)24-22-38(52(61)72)56-48(68)39(57-50(45)70)26-32-12-10-9-11-13-32/h9-21,29-31,37-42,44-46,62-63,66H,8,22-28H2,1-7H3,(H,55,71)(H,56,68)(H,57,70)(H,58,69)(H,59,67)(H,64,65)/t30?,31-,37+,38?,39+,40+,41+,42-,44+,45+,46+/m1/s1 |
| SMILES | CCC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CCC(C2=O)NC(=O)[C@@H](NC1=O)CC3=CC=CC=C3)O)CC4=CC=C(C=C4)OC)C)CC5=CC=C(C=C5)O)C(C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Matern, Ute; Oberer, Lukas; Erhard, Marcel; Herdman, Michael; Weckesser, Jürgen Hofmannolin, a cyanopeptolin from Scytonema hofmanni PCC 7110 Phytochemistry 2003 64 (6) 1061-1067. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(03)00467-9 | PMID | 14568072 |
