Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010564
PROPERTIES
| NPAID | NPA010564 |
|---|---|
| CLUSTER ID | 4110 |
| NODE ID | 3052 |
| NAME | Chaxine C |
| FORMULA | C28H40O4 |
| MOLECULAR WEIGHT (Da) | 440.6240 |
| ACCURATE MASS (Da) | 440.2927 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Agrocybe |
| ORIGIN SPECIES | chaxingu |
| InChIKey | HHOHGMGBNVADCJ-MPSLEBLRSA-N |
| InChI | InChI=1S/C28H40O4/c1-18(2)19(3)10-11-20(4)22-12-13-23-21(24(29)14-16-27(22,23)5)17-26(31)32-28(6)15-8-7-9-25(28)30/h7,9-11,17-20,22-23H,8,12-16H2,1-6H3/b11-10+,21-17-/t19?,20-,22-,23+,27-,28-/m1/s1 |
| SMILES | CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CCC=CC3=O)C(=O)CC[C@]12C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Choi, Jae-Hoon; Ogawa, Akihiro; Abe, Nobuo; Masuda, Kikuko; Koyama, Tomoyuki; Yazawa, Kazunaga; Kawagishi, Hirokazu Chaxines B, C, D, and E from the edible mushroom Agrocybe chaxingu Tetrahedron 2009 65 (47) 9850-9853. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2009.09.064 | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(C)C(C)/C=C/C(C)[C@H]1CC[C@@H]\2[C@@]1(CCC(=O)/C2=C\C(=O)OC3(CCC=CC3=O)C)C | Choi, Jae-Hoon; Ogawa, Akihiro; Abe, Nobuo; Masuda, Kikuko; Koyama, Tomoyuki; Yazawa, Kazunaga; Kawagishi, Hirokazu Chaxines B, C, D, and E from the edible mushroom Agrocybe chaxingu Tetrahedron 2009 65 (47) 9850-9853. DOI: 10.1016/j.tet.2009.09.064 | ||
| 2 | CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CCC=CC3=O)C(=O)CC[C@]12C | Niki, Misaki; Hirata, Yushi; Nakazaki, Atsuo; Wu, Jing; Kawagishi, Hirokazu; Nishikawa, Toshio Biomimetic Synthesis of Chaxine and its Related Compounds. Journal of Organic Chemistry 2020 85 (7) 4848-4860. DOI: 10.1021/acs.joc.9b03482 PMID: 32090579 | ||
