Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018499
PROPERTIES
| NPAID | NPA018499 |
|---|---|
| CLUSTER ID | 201 |
| NODE ID | 188 |
| NAME | SMTP-42 |
| FORMULA | C29H35NO7S |
| MOLECULAR WEIGHT (Da) | 541.6660 |
| ACCURATE MASS (Da) | 541.2134 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stachybotrys |
| ORIGIN SPECIES | microspora |
| InChIKey | NZZILTBWQOFZBT-WNJJXGMVSA-N |
| InChI | InChI=1S/C29H35NO7S/c1-18(2)7-5-8-19(3)9-6-14-29(4)26(32)16-23-25(31)15-22-24(27(23)37-29)17-30(28(22)33)20-10-12-21(13-11-20)38(34,35)36/h7,9-13,15,26,31-32H,5-6,8,14,16-17H2,1-4H3,(H,34,35,36)/t26-,29-/m0/s1 |
| SMILES | CC(=CCCC(=CCC[C@]1([C@H](CC2=C(C=C3C(=C2O1)CN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)O)O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hasegawa, Keiko; Koide, Haruki; Hu, Weimin; Nishimura, Naoko; Narasaki, Ritsuko; Kitano, Yoshikazu; Hasumi, Keiji Structure-activity relationships of 11 new congeners of the SMTP plasminogen modulator Journal of Antibiotics 2010 63 (10) 589-593. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2010.101 | PMID | 20842143 |
