Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013075
PROPERTIES
| NPAID | NPA013075 |
|---|---|
| CLUSTER ID | 1386 |
| NODE ID | 1164 |
| NAME | (2R)-N-{(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl}-2-hydroxyoctadecanamide |
| FORMULA | C42H79NO9 |
| MOLECULAR WEIGHT (Da) | 742.0920 |
| ACCURATE MASS (Da) | 741.5755 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tuber |
| ORIGIN SPECIES | indicum |
| InChIKey | YNSGIKJNTIEXJQ-PNANGNLXSA-N |
| InChI | InChI=1S/C42H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-11-9-7-5-2/h26,28-29,34-40,42,44-49H,4-25,27,30-32H2,1-3H3,(H,43,50)/b29-26+,33-28+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/CCCCCCCC)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Yuan-Yuan; Liu, Ping; Tang, Yang; Li, Hong-Mei; Tang, Ya-Ling; Liang, Xin-Hua; Tang, Ya-Jie Novel cerebrosides isolated from the fermentation mycelia of tuber indicum Helvetica Chimica Acta 2013 96 (4) 702-709. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.201200235 | PMID | - |
