Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016636
PROPERTIES
| NPAID | NPA016636 |
|---|---|
| CLUSTER ID | 1447 |
| NODE ID | 165 |
| NAME | (24E)‐3,4‐secocucurbita‐4,24‐diene‐3,26‐dioic acid |
| FORMULA | C30H48O4 |
| MOLECULAR WEIGHT (Da) | 472.7100 |
| ACCURATE MASS (Da) | 472.3553 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Russula |
| ORIGIN SPECIES | lepida |
| InChIKey | YBIIHHTTWQAQQS-ADEQFILDSA-N |
| InChI | InChI=1S/C30H48O4/c1-19(2)22-11-13-25-28(5,24(22)12-14-26(31)32)17-18-29(6)23(15-16-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,23-25H,8-9,11-18H2,1-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,23-,24-,25-,28+,29-,30+/m1/s1 |
| SMILES | C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CCC(=C(C)C)[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 | - |
