Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006505
PROPERTIES
| NPAID | NPA006505 |
|---|---|
| CLUSTER ID | 806 |
| NODE ID | 699 |
| NAME | Trioxacarcin F |
| FORMULA | C42H56O22 |
| MOLECULAR WEIGHT (Da) | 912.8880 |
| ACCURATE MASS (Da) | 912.3263 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | NMAGTQYUIUDCEW-ZGZWJCMRSA-N |
| InChI | InChI=1S/C42H56O22/c1-15-10-20-27(31(49)29-28(33(20)55-7)22(11-21(46)30(29)48)61-25-13-38(6,51)35(16(2)58-25)60-19(5)45)34-26(15)32(50)36-42(63-34,39(52,14-43)41(54,64-36)37(56-8)57-9)62-24-12-23(47)40(53,17(3)44)18(4)59-24/h10,16,18,21-25,32,35-37,43,46-47,49-54H,11-14H2,1-9H3/t16?,18?,21?,22?,23?,24?,25?,32?,35?,36-,38?,39?,40?,41+,42?/m0/s1 |
| SMILES | CC1C(C(CC(O1)OC2CC(C(=O)C3=C(C4=C5C(=C(C=C4C(=C23)OC)C)C([C@H]6C(O5)(C([C@](O6)(C(OC)OC)O)(CO)O)OC7CC(C(C(O7)C)(C(=O)C)O)O)O)O)O)(C)O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Maskey, Rajendra P.; Helmke, Elisabeth; Kayser, Oliver; Fiebig, Heinz H.; Maier, Armin; Busche, Andreas; Laatsch, Hartmut Anti-cancer and antibacterial trioxacarcins with high anti-malaria activity from a marine streptomycete and their absolute stereochemistry Journal of Antibiotics 2004 57 (12) 771-779. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.57.771 | PMID | 15745111 |
