Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003537
PROPERTIES
| NPAID | NPA003537 |
|---|---|
| CLUSTER ID | 1446 |
| NODE ID | 163 |
| NAME | (24E)-3,4-seco-cucurbita-4,24-diene-3,26,29-trioic acid |
| FORMULA | C30H46O6 |
| MOLECULAR WEIGHT (Da) | 502.6920 |
| ACCURATE MASS (Da) | 502.3294 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Russula |
| ORIGIN SPECIES | lepida |
| InChIKey | MLKGNOBMWJPGDM-OYWJSAOISA-N |
| InChI | InChI=1S/C30H46O6/c1-18(8-7-9-19(2)26(33)34)22-14-15-30(6)24-12-10-21(20(3)27(35)36)23(11-13-25(31)32)28(24,4)16-17-29(22,30)5/h9,18,22-24H,7-8,10-17H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)/b19-9+,21-20-/t18-,22+,23+,24+,28-,29+,30-/m0/s1 |
| SMILES | C[C@@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CC/C(=C(\C)/C(=O)O)/[C@H]3CCC(=O)O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jian-Wen, Tan; Ze-Jun, Dong; Ji-Kai, Liu New Terpenoids from Basidiomycetes Russula lepida Helvetica Chimica Acta 2000 83 (12) 3191-3197. | ||
|---|---|---|---|
| DOI | 10.1002/1522-2675(20001220)83:12<3191::aid-hlca3191>3.0.co;2-v | PMID | - |
