| Properties | Image |
|---|
| MNX_ID | MNXM953299 |
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| reference | slm:000645684 |
| formula | C67H115NO9P |
| global charge | -1 |
| mol weight | 1109.629 |
| InChIKey | QXTNQGAGRWIRFY-LMRONQBFSA-M |
| InChI | InChI=1S/C67H116NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,31-32,35,38,44,47,64H,4-6,8-9,11-15,18,21-24,27,30,33-34,36-37,39-43,45-46,48-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,32-31-,38-35-,47-44-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H116NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,31-32,35,38,44,47,64H,4-6,8-9,11-15,18,21-24,27,30,33-34,36-37,39-43,45-46,48-63H2,1-3H3,(H,68,69)(H,72,73)/b10-7-,19-16-,20-17-,28-25-,29-26-,32-31-,38-35-,47-44-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:35]=[CH:38]\[CH2:41]/[CH:44]=[CH:47]\[CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:77][C@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70])[CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69] |
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