| Properties | Image |
|---|
| MNX_ID | MNXM938355 |
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| reference | slm:000630740 |
| formula | C69H115NO9P |
| global charge | -1 |
| mol weight | 1133.651 |
| InChIKey | CDQHRJXFNOEEBG-IIROHSSXSA-M |
| InChI | InChI=1S/C69H116NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-9-6-3)79-69(73)61-58-55-53-51-49-47-45-43-41-38-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,26-28,30-31,38,43,45,49,51,66H,4-6,8-9,11-13,18-19,24-25,29,32-37,39-42,44,46-48,50,52-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,16-14-,17-15-,22-20-,23-21-,28-26-,31-30-,38-27-,45-43-,51-49-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-9-6-3)79-69(73)61-58-55-53-51-49-47-45-43-41-38-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,26-28,30-31,38,43,45,49,51,66H,4-6,8-9,11-13,18-19,24-25,29,32-37,39-42,44,46-48,50,52-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,16-14-,17-15-,22-20-,23-21-,28-26-,31-30-,38-27-,45-43-,51-49-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][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][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:53]/[CH:51]=[CH:49]\[CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:38]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:73] |
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