| Properties | Image |
|---|
| MNX_ID | MNXM966217 |
 |
| reference | slm:000658602 |
| formula | C69H115NO9P |
| global charge | -1 |
| mol weight | 1133.651 |
| InChIKey | DEQQWZAYAPVTOD-DMDZLNKFSA-M |
| InChI | InChI=1S/C69H116NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-15-12-9-6-3)79-69(73)61-58-55-52-49-47-45-43-41-38-27-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,28-29,31-32,38,41,45,47,52,55,66H,4-7,9-10,12-15,20-21,26-27,30,33-37,39-40,42-44,46,48-51,53-54,56-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b11-8-,18-16-,19-17-,24-22-,25-23-,29-28-,32-31-,41-38-,47-45-,55-52-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-15-12-9-6-3)79-69(73)61-58-55-52-49-47-45-43-41-38-27-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,28-29,31-32,38,41,45,47,52,55,66H,4-7,9-10,12-15,20-21,26-27,30,33-37,39-40,42-44,46,48-51,53-54,56-65H2,1-3H3,(H,70,71)(H,74,75)/b11-8-,18-16-,19-17-,24-22-,25-23-,29-28-,32-31-,41-38-,47-45-,55-52-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:68](=[O:72])[O:76][CH2:64][C@H:66]([CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58]/[CH:55]=[CH:52]\[CH2:49]/[CH:47]=[CH:45]\[CH2:43]/[CH:41]=[CH:38]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:73] |
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