Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010390
PROPERTIES
| NPAID | NPA010390 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Leptosine M |
| FORMULA | C33H36N6O8S4 |
| MOLECULAR WEIGHT (Da) | 772.9530 |
| ACCURATE MASS (Da) | 772.1477 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Leptosphaeria |
| ORIGIN SPECIES | sp. |
| InChIKey | SNOBMBVOZWFXHF-GQWRLTONSA-N |
| InChI | InChI=1S/C33H36N6O8S4/c1-15(2)32-28(46)39-25-30(17-11-7-9-13-19(17)35-25,23(43)33(39,27(45)37(32)4)49-51-50-48-32)29-16-10-6-8-12-18(16)34-24(29)38-21(41)20(14-40)36(3)26(44)31(38,47-5)22(29)42/h6-13,15,20,22-25,34-35,40,42-43H,14H2,1-5H3/t20?,22-,23-,24+,25-,29+,30?,31+,32?,33+/m1/s1 |
| SMILES | CC(C)C12C(=O)N3[C@@H]4C([C@H]([C@@]3(C(=O)N1C)SSSS2)O)(C5=CC=CC=C5N4)[C@@]67[C@H]([C@@]8(C(=O)N(C(C(=O)N8[C@@H]6NC9=CC=CC=C79)CO)C)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yamada, Takeshi; Iwamoto, Chika; Yamagaki, Naoko; Yamanouchi, Takako; Minoura, Katsuhiko; Yamori, Takao; Uehara, Yoshimasa; Andoh, Toshiwo; Umemura, Ken; Numata, Atsushi Leptosins M-N1, cytotoxic metabolites from a Leptosphaeria species separated from a marine alga. Structure determination and biological activities Tetrahedron 2002 58 (3) 479-487. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(01)01170-x | PMID | - |
