Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027000
PROPERTIES
| NPAID | NPA027000 |
|---|---|
| CLUSTER ID | 18 |
| NODE ID | 18 |
| NAME | Bistachybotrysin I |
| FORMULA | C49H66O11 |
| MOLECULAR WEIGHT (Da) | 831.0560 |
| ACCURATE MASS (Da) | 830.4605 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stachybotrys |
| ORIGIN SPECIES | chartarum CGMCC 3.5365 |
| InChIKey | KUKGNQZISGBMJL-WNZVNDLLSA-N |
| InChI | InChI=1S/C49H66O11/c1-23-11-13-33-44(4,5)35(58-25(3)51)15-16-46(33,8)48(23)19-29-31(53)18-27-37(41(29)60-48)42(57-10)38(39(27)55)36-26(22-50)17-30(52)28-20-49(59-40(28)36)24(2)12-14-34-45(6,7)43(56)32(54)21-47(34,49)9/h17-18,23-24,32-35,38,42-43,50,52-54,56H,11-16,19-22H2,1-10H3/t23-,24-,32-,33+,34+,35-,38-,42+,43-,46+,47+,48-,49-/m1/s1 |
| SMILES | CO[C@H]1C2=C3O[C@]4(CC3=C(O)C=C2C(=O)[C@H]1C1=C2O[C@]3(CC2=C(O)C=C1CO)[C@H](C)CC[C@H]1C(C)(C)[C@H](O)[C@H](O)C[C@@]13C)[C@H](C)CC[C@H]1C(C)(C)[C@H](OC(C)=O)CC[C@@]14C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Feng, Jiamin; Zhang, Min; Jia, Xiaona; Zhao, Jinlian; Chen, Ridao; Xie, Kebo; Chen, Dawei; Li, Yan; Liu, Jimei; Dai, Jungui Bistachybotrysins F-J, five new phenylspirodrimane dimers with a central cyclopentanone linkage from Stachybotrys chartarum Fitoterapia 2019 136 None. | ||
|---|---|---|---|
| DOI | 10.1016/j.fitote.2019.04.013 | PMID | 31051194 |
