| Properties | Image |
MNX_ID | MNXM193498 |
 |
reference | slm:000021194 |
formula | C63H101O8P |
global charge | -2 |
mol weight | 1017.467 |
InChIKey | RLJSWHKNACCIHL-XWEIBOPASA-L |
InChI | InChI=1S/C63H103O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-63(65)71-61(60-70-72(66,67)68)59-69-62(64)57-55-53-51-49-47-45-43-41-39-37-35-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28-29,31-32,37,39,61H,3-4,9-10,15-16,21-22,27,30,33-36,38,40-60H2,1-2H3,(H2,66,67,68)/p-2/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,39-37-/t61-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])[O-] |
MNX internals
InChI (mnx) | InChI=1/C63H103O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-63(65)71-61(60-70-72(66,67)68)59-69-62(64)57-55-53-51-49-47-45-43-41-39-37-35-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28-29,31-32,37,39,61H,3-4,9-10,15-16,21-22,27,30,33-36,38,40-60H2,1-2H3,(H2,66,67,68)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,39-37-/t61-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][C:63](=[O:65])[O:71][C@H:61]([CH2:59][O:69][C:62]([CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:35]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:64])[CH2:60][O:70][P:72]([OH:66])([OH:67])=[O:68] |
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