| NPAID |
NPA016612 |
| CLUSTER ID |
5663
|
| NODE ID |
4012
|
| NAME |
11-cyclohexyl-N-((2S,3S,4R,5S,6R)-2-((2S,3S,4R,5R,6R,7S)-7-((3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl)-2,3,4,5,6-pentahydroxyoctyloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)undecanamide |
| FORMULA |
C55H99NO10 |
| MOLECULAR WEIGHT (Da) |
934.3940 |
| ACCURATE MASS (Da) |
933.7269 |
| ORIGIN ORGANISM TYPE |
Bacterium |
| ORIGIN GENUS |
Alicyclobacillus |
| ORIGIN SPECIES |
acidoterrestris |
| InChIKey |
YENKJXDSGUTSNU-AGAJEQGRSA-N |
| InChI |
InChI=1S/C55H99NO10/c1-34(36-23-28-52(4)37(36)24-29-54(6)41(52)21-22-42-53(5)27-17-26-51(2,3)40(53)25-30-55(42,54)7)44(59)48(63)49(64)45(60)38(58)33-65-50-43(47(62)46(61)39(32-57)66-50)56-31-16-11-9-8-10-13-18-35-19-14-12-15-20-35/h34-50,56-64H,8-33H2,1-7H3/t34?,36?,37-,38-,39+,40-,41+,42+,43-,44+,45-,46+,47+,48+,49-,50-,52-,53-,54+,55+/m0/s1 |
| SMILES |
CC(C1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C)[C@H]([C@H]([C@H]([C@H]([C@H](CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NCCCCCCCCC7CCCCC7)O)O)O)O)O |
