Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006277
PROPERTIES
| NPAID | NPA006277 |
|---|---|
| CLUSTER ID | 1386 |
| NODE ID | 1164 |
| NAME | (2R,3E)-N-{(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl}-2-hydroxyheneicos-3-enamide |
| FORMULA | C45H83NO9 |
| MOLECULAR WEIGHT (Da) | 782.1570 |
| ACCURATE MASS (Da) | 781.6068 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tuber |
| ORIGIN SPECIES | indicum |
| InChIKey | SFBHTFQPVMTZEM-QLHUYITDSA-N |
| InChI | InChI=1S/C45H83NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-11-9-7-5-2/h28-29,31-33,37-43,45,47-52H,4-27,30,34-35H2,1-3H3,(H,46,53)/b32-29+,33-28+,36-31+/t37-,38+,39+,40+,41+,42-,43+,45+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCC/C=C/[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 | - |
