Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022744
PROPERTIES
| NPAID | NPA022744 |
|---|---|
| CLUSTER ID | 6979 |
| NODE ID | 3357 |
| NAME | Hawaiienol B |
| FORMULA | C21H22O8 |
| MOLECULAR WEIGHT (Da) | 402.3990 |
| ACCURATE MASS (Da) | 402.1315 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Paraconiothyrium |
| ORIGIN SPECIES | hawaiiense |
| InChIKey | JXZNGXLFMMDPFT-YCXYWVQESA-N |
| InChI | InChI=1S/C21H22O8/c1-26-14-8-4-12(5-9-14)19(24)17-16(22)20(25,21(28-3,29-17)18(19)23)13-6-10-15(27-2)11-7-13/h4-11,16-17,22,24-25H,1-3H3/t16-,17-,19-,20+,21-/m1/s1 |
| SMILES | COC1=CC=C(C=C1)[C@@]2([C@@H]([C@@H]3[C@@](C(=O)[C@]2(O3)OC)(C4=CC=C(C=C4)OC)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ren, Fengxia; Chen, Shenxi; Zhang, Yang; Zhu, Shuaiming; Xiao, Junhai; Liu, Xingzhong; Su, Ruibin; Che, Yongsheng Hawaiienols A-D, Highly Oxygenated p-Terphenyls from an Insect-Associated Fungus, Paraconiothyrium hawaiiense Journal of Natural Products 2018 81 (8) 1752-1759. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00106 | PMID | 30024750 |
