Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023933
PROPERTIES
| NPAID | NPA023933 |
|---|---|
| CLUSTER ID | 151 |
| NODE ID | 143 |
| NAME | Acaudiolic acid |
| FORMULA | C14H20O7 |
| MOLECULAR WEIGHT (Da) | 300.3070 |
| ACCURATE MASS (Da) | 300.1209 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acaulium |
| ORIGIN SPECIES | sp. H-JQSF |
| InChIKey | LONPBBGVPRWHEF-VEECKZCXSA-N |
| InChI | InChI=1S/C14H20O7/c1-9(3-4-11(16)5-7-13(18)19)21-14(20)8-6-12(17)10(2)15/h5-10,12,15,17H,3-4H2,1-2H3,(H,18,19)/b7-5+,8-6+/t9-,10-,12+/m0/s1 |
| SMILES | C[C@@H](CCC(=O)/C=C/C(=O)O)OC(=O)/C=C/[C@H]([C@H](C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Ting Ting; Wei, Ying Jie; Ge, Hui Ming; Jiao, Rui Hua; Tan, Ren Xiang Acaulins A and B, Trimeric Macrodiolides from Acaulium sp. H-JQSF Organic Letters 2018 20 (8) 2490-2493. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.8b00883 | PMID | 29624065 |
