Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029970
PROPERTIES
| NPAID | NPA029970 |
|---|---|
| CLUSTER ID | 8797 |
| NODE ID | 5938 |
| NAME | Spicarin D |
| FORMULA | C31H32O15 |
| MOLECULAR WEIGHT (Da) | 644.5820 |
| ACCURATE MASS (Da) | 644.1741 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Spicaria |
| ORIGIN SPECIES | elegans KLA03 |
| InChIKey | NUECMCRANXGGPO-YHZWXPKMSA-N |
| InChI | InChI=1S/C31H32O15/c1-11-19-10-39-25(21(19)26(42-15(5)34)29(44-17(7)36)23(11)40-13(3)32)27-22-20(31(38-9)46-27)12(2)24(41-14(4)33)30(45-18(8)37)28(22)43-16(6)35/h25,27,31H,10H2,1-9H3/t25-,27+,31-/m1/s1 |
| SMILES | CO[C@@H]1O[C@H]([C@@H]2OCC3=C(C)C(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C32)C2=C(OC(C)=O)C(OC(C)=O)=C(OC(C)=O)C(C)=C21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin Z; Ma X; Wei H; Li D; Gu Q; Zhu T Spicarins A–D from acetylated extract of fungus Spicaria elegans KLA03 RSC Advances 2015 5 (44) 35262-35266. | ||
|---|---|---|---|
| DOI | 10.1039/c5ra01923k | PMID | - |
