Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016115
PROPERTIES
| NPAID | NPA016115 |
|---|---|
| CLUSTER ID | 5560 |
| NODE ID | 299 |
| NAME | Himastatin |
| FORMULA | C72H104N14O20 |
| MOLECULAR WEIGHT (Da) | 1485.7020 |
| ACCURATE MASS (Da) | 1484.7551 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus |
| InChIKey | OZPNLJQULOIOGU-UPABGHPRSA-N |
| InChI | InChI=1S/C72H104N14O20/c1-29(2)19-45-57(91)81-53(35(13)87)63(97)83-49(61(95)79-51(31(5)6)67(101)105-55(33(9)10)65(99)85-47(59(93)75-45)23-39(89)27-73-85)25-71(103)41-21-37(15-17-43(41)77-69(71)83)38-16-18-44-42(22-38)72(104)26-50-62(96)80-52(32(7)8)68(102)106-56(34(11)12)66(100)86-48(24-40(90)28-74-86)60(94)76-46(20-30(3)4)58(92)82-54(36(14)88)64(98)84(50)70(72)78-44/h15-18,21-22,29-36,39-40,45-56,69-70,73-74,77-78,87-90,103-104H,19-20,23-28H2,1-14H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t35-,36-,39+,40+,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,55-,56-,69-,70-,71+,72+/m0/s1 |
| SMILES | C[C@@H]([C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=C3C=C(C=C4)C5=CC6=C(C=C5)N[C@@H]7[C@]6(C[C@@H]8N7C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]9C[C@H](CNN9C(=O)[C@@H](OC(=O)[C@H](NC8=O)C(C)C)C(C)C)O)CC(C)C)[C@H](C)O)O)O)C(=O)N[C@@H](C(=O)O[C@H](C(=O)N2[C@H](C[C@H](CN2)O)C(=O)N[C@H](C(=O)N1)CC(C)C)C(C)C)C(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Leet; Schroeder; Golik; Matson; Doyle; Lam; Hill; Lee; Whitney; Krishnan Himastatin, a new antitumor antibiotic from Streptomyces hygroscopicus III. Structural elucidation Journal of Antibiotics 1996 49 (3) 299-311. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.299 | PMID | 8626248 |
