DEREPLICATION

反复制

用分子式或精确质量对上库里已有的化合物。质量优先用来源库或 PubChem 的单同位素质量，缺记时按分子式和标准同位素质量估算。窗口按 ppm 计算，不是平均分子量。

分子式

Hill 顺序，允许 Unicode 下标

岩藻黄素C42H58O6 · 褐藻658.4233
3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 褐藻658.4233
4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1e)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 褐藻658.4233
(1s,3s)-3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 红藻658.4233
(1s,3s)-3-hydroxy-4-[(3z,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 红藻658.4233
3-hydroxy-4-[(5e,7e,9e,11e,13e,15e)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 红藻658.4233
[(1S,3R)-3-hydroxy-4-[(3Z,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻式量 658.4233
[(1S,3S)-3-hydroxy-4-[(3E,5E,7E,9E,11Z,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻式量 658.4233
[(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻式量 658.4233
[(1S,3R)-3-hydroxy-4-[(3E,5E,7Z,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻式量 658.4233
NPC140795C42H58O6 · 褐藻式量 658.4233

精确质量

单同位素质量（Da）

岩藻黄素C42H58O6 · Fucoxanthin0.06 ppm
3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 褐藻0.06 ppm
4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1e)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 褐藻0.06 ppm
(1s,3s)-3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 红藻0.06 ppm
(1s,3s)-3-hydroxy-4-[(3z,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 红藻0.06 ppm
3-hydroxy-4-[(5e,7e,9e,11e,13e,15e)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetateC42H58O6 · 红藻0.06 ppm
[(1S,3R)-3-hydroxy-4-[(3Z,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻0.06 ppm
[(1S,3S)-3-hydroxy-4-[(3E,5E,7E,9E,11Z,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻0.06 ppm
[(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻0.06 ppm
[(1S,3R)-3-hydroxy-4-[(3E,5E,7Z,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octC42H58O6 · 褐藻0.06 ppm
NPC140795C42H58O6 · 褐藻0.06 ppm