Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006017
PROPERTIES
| NPAID | NPA006017 |
|---|---|
| CLUSTER ID | 171 |
| NODE ID | 160 |
| NAME | Hexagonin C |
| FORMULA | C33H48O5 |
| MOLECULAR WEIGHT (Da) | 524.7420 |
| ACCURATE MASS (Da) | 524.3502 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hexagonia |
| ORIGIN SPECIES | apiaria |
| InChIKey | PBVCPPSYMGHWMG-KFKYFVHQSA-N |
| InChI | InChI=1S/C33H48O5/c1-18-16-33(20(3)19(2)28(35)38-33)37-24-17-32(9)23-10-11-25-29(5,6)26(36-21(4)34)13-14-30(25,7)22(23)12-15-31(32,8)27(18)24/h18,24-27H,10-17H2,1-9H3/t18-,24-,25?,26-,27+,30-,31-,32+,33?/m1/s1 |
| SMILES | C[C@@H]1CC2(C(=C(C(=O)O2)C)C)O[C@H]3[C@H]1[C@]4(CCC5=C([C@@]4(C3)C)CCC6[C@@]5(CC[C@H](C6(C)C)OC(=O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Thang, Tran Dinh; Kuo, Ping-Chung; Ngoc, Nguyen Thi Bich; Hwang, Tsong-Long; Yang, Mei-Lin; Ta, Shih-Huang; Lee, E-Jian; Kuo, Dai-Huang; Hung, Nguyen Huy; Tuan, Nguyen Ngoc; Wu, Tian-Shung Chemical Constituents from the Fruiting Bodies of Hexagonia apiaria and Their Anti-inflammatory Activity Journal of Natural Products 2015 78 (11) 2552-2558. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.5b00449 | PMID | 26575215 |
