Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008018
PROPERTIES
| NPAID | NPA008018 |
|---|---|
| CLUSTER ID | 606 |
| NODE ID | 539 |
| NAME | Diasteltoxin B |
| FORMULA | C46H60O14 |
| MOLECULAR WEIGHT (Da) | 836.9720 |
| ACCURATE MASS (Da) | 836.3983 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | variecolor XSA-07-2 |
| InChIKey | GLGGKZWUHICGAB-CKSYNCPQSA-N |
| InChI | InChI=1S/C46H60O14/c1-11-30-44(7,51)42(5)37(49)27(55-39(42)57-30)20-15-13-14-18-22-46-35(36-25(3)29(53-9)23-33(47)59-36)26(41(46,4)32(54-10)24-34(48)60-46)19-16-17-21-28-38(50)43(6)40(56-28)58-31(12-2)45(43,8)52/h13-24,26-28,30-31,35,37-40,49-52H,11-12H2,1-10H3/b14-13+,19-16+,20-15+,21-17+,22-18+/t26-,27+,28+,30+,31+,35+,37-,38-,39-,40-,41+,42-,43-,44-,45-,46+/m0/s1 |
| SMILES | CC[C@@H]1[C@]([C@]2([C@H]([C@H](O[C@H]2O1)/C=C/C=C/C=C/[C@@]34[C@H]([C@@H]([C@@]3(C(=CC(=O)O4)OC)C)/C=C/C=C/[C@@H]5[C@@H]([C@]6([C@@H](O5)O[C@@H]([C@]6(C)O)CC)C)O)C7=C(C(=CC(=O)O7)OC)C)O)C)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Long, Hailin; Cheng, Zhongbin; Huang, Wei; Wu, Qi; Li, Xiaodan; Cui, Jingrong; Proksch, Peter; Lin, Wenhan Diasteltoxins A-C, Asteltoxin-Based Dimers from a Mutant of the Sponge-Associated Emericella variecolor Fungus Organic Letters 2016 18 (18) 4678-4681. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b02313 | PMID | 27571434 |
