Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010686
PROPERTIES
| NPAID | NPA010686 |
|---|---|
| CLUSTER ID | 4236 |
| NODE ID | 3133 |
| NAME | (3aS,4R,5S,7aR)-4,5-dihydroxy-7-methyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-2-one |
| FORMULA | C8H10O5 |
| MOLECULAR WEIGHT (Da) | 186.1630 |
| ACCURATE MASS (Da) | 186.0528 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Lasiodiplodia |
| ORIGIN SPECIES | theobromae OCS71 |
| InChIKey | RYEUJNKDXDLZBY-WNJXEPBRSA-N |
| InChI | InChI=1S/C8H10O5/c1-3-2-4(9)5(10)7-6(3)12-8(11)13-7/h2,4-7,9-10H,1H3/t4-,5+,6+,7-/m0/s1 |
| SMILES | CC1=C[C@@H]([C@H]([C@H]2[C@@H]1OC(=O)O2)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | TAKEI, Ryo; TAKAHASHI, Kosaku; MATSUURA, Hideyuki; NABETA, Kensuke New Potato Micro-Tuber-Inducing Cyclohexene Compounds Related to Theobroxide from Lasiodiplodia theobromae Bioscience Biotechnology and Biochemistry 2008 72 (8) 2069-2073. | ||
|---|---|---|---|
| DOI | 10.1271/bbb.80171 | PMID | 18685216 |
