Compounds
| ID | Spectrum Quality | Annotated Name | 
|---|
COMPOUND NPA000413
PROPERTIES
| NPAID | NPA000413 | 
|---|---|
| CLUSTER ID | 325 | 
| NODE ID | 295 | 
| NAME | Kolokoside A | 
| FORMULA | C36H58O10 | 
| MOLECULAR WEIGHT (Da) | 650.8500 | 
| ACCURATE MASS (Da) | 650.4030 | 
| ORIGIN ORGANISM TYPE | Fungus | 
| ORIGIN GENUS | Xylaria | 
| ORIGIN SPECIES | sp. | 
| InChIKey | KTRZOFQWEWCGPB-ODCXEYBOSA-N | 
| InChI | InChI=1S/C36H58O10/c1-17(2)18(3)36(9)24(39)15-35(8)20-10-11-23-32(4,5)29(46-31-27(42)26(41)25(40)22(16-37)45-31)21(38)14-33(23,6)19(20)12-13-34(35,7)28(36)30(43)44/h12,17-18,20-23,25-29,31,37-38,40-42H,10-11,13-16H2,1-9H3,(H,43,44)/t18-,20+,21-,22-,23+,25-,26+,27-,28+,29+,31+,33-,34+,35-,36+/m1/s1 | 
| SMILES | C[C@H](C(C)C)[C@@]1([C@H]([C@@]2(CC=C3[C@@H]([C@]2(CC1=O)C)CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)C(=O)O)C | 
ORIGINAL ISOLATION REFERENCE
| CITATION | Deyrup, Stephen T.; Gloer, James B.; O'Donnell, Kerry; Wicklow, Donald T. Kolokosides A-D: Triterpenoid glycosides from a Hawaiian isolate of Xylaria sp Journal of Natural Products 2007 70 (3) 378-382. | ||
|---|---|---|---|
| DOI | 10.1021/np060546k | PMID | 17284074 | 
 
             
                            