Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017622
PROPERTIES
| NPAID | NPA017622 |
|---|---|
| CLUSTER ID | 606 |
| NODE ID | 539 |
| NAME | Diasteltoxin C |
| 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 | ILMKRUCNFZCNDJ-UNPPWJPFSA-N |
| InChI | InChI=1S/C46H60O14/c1-11-31-45(7,51)43(5)39(49)27(55-41(43)57-31)19-15-13-17-25-35(37-23(3)29(53-9)21-33(47)59-37)26(36(25)38-24(4)30(54-10)22-34(48)60-38)18-14-16-20-28-40(50)44(6)42(56-28)58-32(12-2)46(44,8)52/h13-22,25-28,31-32,35-36,39-42,49-52H,11-12H2,1-10H3/b17-13+,18-14+,19-15+,20-16+/t25?,26?,27-,28-,31-,32-,35?,36?,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1 |
| SMILES | CC[C@H]1O[C@@H]2O[C@@H]([C@@H]([C@@]2([C@]1(O)C)C)O)/C=C/C=C/C3C(C(C3C4=C(C(=CC(=O)O4)OC)C)/C=C/C=C/[C@H]5O[C@H]6O[C@@H]([C@@]([C@]6([C@H]5O)C)(O)C)CC)C7=C(C(=CC(=O)O7)OC)C |
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 |
