Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006456
PROPERTIES
| NPAID | NPA006456 |
|---|---|
| CLUSTER ID | 69 |
| NODE ID | 64 |
| NAME | Gargalol A |
| FORMULA | C28H44O3 |
| MOLECULAR WEIGHT (Da) | 428.6570 |
| ACCURATE MASS (Da) | 428.3290 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Grifola |
| ORIGIN SPECIES | gargal |
| InChIKey | VSKOELNSOFBWQU-VNQQHNGCSA-N |
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-19-15-24(30)28-25(31-28)23(29)12-14-27(28,6)22(19)11-13-26(20,21)5/h7-8,15-18,20-25,29-30H,9-14H2,1-6H3/b8-7+/t17-,18+,20+,21-,22-,23-,24-,25-,26+,27+,28-/m0/s1 |
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]([C@@]45[C@@]3(CC[C@@H]([C@@H]4O5)O)C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wu, Jing; Choi, Jae-Hoon; Yoshida, Miyuki; Hirai, Hirofumi; Harada, Etsuko; Masuda, Kikuko; Koyama, Tomoyuki; Yazawa, Kazunaga; Noguchi, Keiichi; Nagasawa, Kazuo; Kawagishi, Hirokazu Osteoclast-forming suppressing compounds, gargalols A, B, and C, from the edible mushroom Grifola gargal Tetrahedron 2011 67 (35) 6576-6581. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2011.05.091 | PMID | - |
