| Properties | Image |
|---|
| MNX_ID | MNXM170094 |
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| reference | chebi:134466 |
| formula | C80H156O5 |
| global charge | 0 |
| mol weight | 1198.123 |
| InChIKey | BRGNMDLWKZJITN-OWWNRXNESA-N |
| InChI | InChI=1S/C80H156O5/c1-4-6-8-10-12-14-16-18-20-22-23-24-32-35-38-41-45-49-53-57-61-65-69-73-77(80(83)84)78(81)74-70-66-62-58-54-50-46-42-39-36-33-30-28-26-25-27-29-31-34-37-40-43-47-51-55-59-63-67-71-75-79(82)85-76(3)72-68-64-60-56-52-48-44-21-19-17-15-13-11-9-7-5-2/h29,31,76-78,81H,4-28,30,32-75H2,1-3H3,(H,83,84)/b31-29+ |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C(O)CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H156O5/c1-4-6-8-10-12-14-16-18-20-22-23-24-32-35-38-41-45-49-53-57-61-65-69-73-77(80(83)84)78(81)74-70-66-62-58-54-50-46-42-39-36-33-30-28-26-25-27-29-31-34-37-40-43-47-51-55-59-63-67-71-75-79(82)85-76(3)72-68-64-60-56-52-48-44-21-19-17-15-13-11-9-7-5-2/h29,31,76-78,81H,4-28,30,32-75H2,1-3H3,(H,83,84)/b31-29+/t76?,77?,78? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:32][CH2:35][CH2:38][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][CH2:65][CH2:69][CH2:73][CH:77]([CH:78]([CH2:74][CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:28][CH2:26][CH2:25][CH2:27]/[CH:29]=[CH:31]/[CH2:34][CH2:37][CH2:40][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][CH2:63][CH2:67][CH2:71][CH2:75][C:79](=[O:82])[O:85][CH:76]([CH3:3])[CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:81])[C:80](=[O:83])[OH:84] |
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