Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003853
PROPERTIES
| NPAID | NPA003853 |
|---|---|
| CLUSTER ID | 560 |
| NODE ID | 499 |
| NAME | Guignardone I |
| FORMULA | C17H26O5 |
| MOLECULAR WEIGHT (Da) | 310.3900 |
| ACCURATE MASS (Da) | 310.1780 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. a1 |
| InChIKey | WRBUZDRDVYGZFV-BXIMHZBSSA-N |
| InChI | InChI=1S/C17H26O5/c1-16(2,20)10-5-6-17(3)11(10)7-9-14(19)13(21-4)8-12(18)15(9)22-17/h10-13,18,20H,5-8H2,1-4H3/t10-,11+,12-,13+,17-/m0/s1 |
| SMILES | CO[C@@H]1C[C@H](O)C2=C(C[C@@H]3[C@@H](C(C)(C)O)CC[C@]3(C)O2)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mei, Wen-Li; Zheng, Bo; Zhao, You-Xing; Zhong, Hui-Ming; Chen, Xun-Li Wu; Zeng, Yan-Bo; Dong, Wen-Hua; Huang, Jiu-Li; Proksch, Peter; Dai, Hao-Fu Meroterpenes from endophytic fungus A1 of mangrove plant Scyphiphora hydrophyllacea Marine Drugs 2012 10 (9) 1993-2001. | ||
|---|---|---|---|
| DOI | 10.3390/md10091993 | PMID | 23118716 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@]12CC[C@H]([C@@H]1CC3=C(O2)[C@H](C[C@@H](C3=O)OC)O)C(C)(C)O | Mei, Wen-Li; Zheng, Bo; Zhao, You-Xing; Zhong, Hui-Ming; Chen, Xun-Li Wu; Zeng, Yan-Bo; Dong, Wen-Hua; Huang, Jiu-Li; Proksch, Peter; Dai, Hao-Fu Meroterpenes from endophytic fungus A1 of mangrove plant Scyphiphora hydrophyllacea Marine Drugs 2012 10 (9) 1993-2001. DOI: 10.3390/md10091993 PMID: 23118716 | ||
| 2 | CO[C@@H]1C[C@H](O)C2=C(C[C@@H]3[C@@H](C(C)(C)O)CC[C@]3(C)O2)C1=O | Kobayashi, Toyoharu; Takizawa, Iori; Shinobe, Ayumu; Kawamoto, Yuichiro; Abe, Hideki; Ito, Hisanaka Asymmetric Synthesis and Structure Revision of Guignardone H and I: Development of a Chiral 1,3-Diketone Possessing C<sub>2</sub> Symmetry. Organic Letters 2019 21 (9) 3008-3012. DOI: 10.1021/acs.orglett.9b00486 PMID: 30888186 | ||
