Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027749
PROPERTIES
| NPAID | NPA027749 |
|---|---|
| CLUSTER ID | 18 |
| NODE ID | 18 |
| NAME | Bistachybotrysin B |
| FORMULA | C48H64O11 |
| MOLECULAR WEIGHT (Da) | 817.0290 |
| ACCURATE MASS (Da) | 816.4449 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stachybotrys |
| ORIGIN SPECIES | chartarum |
| InChIKey | GMZSECWXGWMLSK-FUYOYEJBSA-N |
| InChI | InChI=1S/C48H64O11/c1-22-10-12-32-43(4,5)34(53)14-15-45(32,8)47(22)18-27-29(50)16-25-21-55-42-36-26(37(54)40(57-42)35(25)38(27)58-47)17-30(51)28-19-48(59-39(28)36)23(2)11-13-33-44(6,7)41(56-24(3)49)31(52)20-46(33,48)9/h16-17,22-23,31-34,37,40-42,50-54H,10-15,18-21H2,1-9H3/t22-,23-,31-,32+,33+,34-,37+,40+,41-,42+,45+,46+,47-,48-/m1/s1 |
| SMILES | CC(=O)O[C@@H]1[C@H](O)C[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23CC2=C(O)C=C4C(=C2O3)[C@H]2OCC3=CC(O)=C5C[C@@]6(OC5=C3[C@H](O2)[C@H]4O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]26C)C1(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhao, Jinlian; Feng, Jiamin; Tan, Zhen; Liu, Jimei; Zhang, Min; Chen, Ridao; Xie, Kebo; Chen, Dawei; Li, Yan; Chen, Xiaoguang; Dai, Jungui Bistachybotrysins A–C, three phenylspirodrimane dimers with cytotoxicity from Stachybotrys chartarum Bioorganic and Medicinal Chemistry Letters 2018 28 (3) 355-359. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2017.12.039 | PMID | 29279273 |
