Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015163
PROPERTIES
| NPAID | NPA015163 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Leptosin G1 |
| FORMULA | C32H32N6O7S6 |
| MOLECULAR WEIGHT (Da) | 805.0450 |
| ACCURATE MASS (Da) | 804.0657 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Leptosphaeria |
| ORIGIN SPECIES | sp. |
| InChIKey | FNGREQNWOPPQJI-OWDCXDQNSA-N |
| InChI | InChI=1S/C32H32N6O7S6/c1-14(2)30-26(45)38-22-29(16-10-6-8-12-18(16)34-22,20(41)32(38,49-51-47-30)25(44)36(30)4)28-15-9-5-7-11-17(15)33-21(28)37-23(42)27(13-39)35(3)24(43)31(37,19(28)40)48-50-46-27/h5-12,14,19-22,33-34,39-41H,13H2,1-4H3/t19-,20-,21-,22+,27-,28-,29+,30-,31-,32-/m0/s1 |
| SMILES | CC(C)[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SSS2)O)(C5=CC=CC=C5N4)[C@@]67[C@@H]([C@]89C(=O)N([C@](C(=O)N8[C@@H]6NC1=CC=CC=C71)(SSS9)CO)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takahashi, C; Takai, Y; Kimura, Y; Numata, A; Shigematsu, N; Tanaka, H Cytotoxic metabolites from a fungal adherent of a marine alga Phytochemistry 1995 38 (1) 155-158. | ||
|---|---|---|---|
| DOI | 10.1016/0031-9422(94)00582-e | PMID | 7766052 |
