| Properties | Image |
|---|
| MNX_ID | MNXM1176984 |
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| reference | envipathM:...90d6268a1fb8 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | MTGUBYNOBVQQTK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-18-26-41(55)36-37-42(56)27-19-16-17-24-35-54(61)64-43(39-62-52(59)33-22-14-10-12-20-30-46-47(65-46)32-25-28-45(58)44(57)6-3)40-63-53(60)34-23-15-11-13-21-31-49-51(67-49)38-50-48(66-50)29-8-5-2/h18,25-26,28,41-51,55-58H,4-17,19-24,27,29-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)CCC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-18-26-41(55)36-37-42(56)27-19-16-17-24-35-54(61)64-43(39-62-52(59)33-22-14-10-12-20-30-46-47(65-46)32-25-28-45(58)44(57)6-3)40-63-53(60)34-23-15-11-13-21-31-49-51(67-49)38-50-48(66-50)29-8-5-2/h18,25-26,28,41-51,55-58H,4-17,19-24,27,29-40H2,1-3H3/b26-18?,28-25?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:18]=[CH:26][CH:41]([CH2:36][CH2:37][CH:42]([CH2:27][CH2:19][CH2:16][CH2:17][CH2:24][CH2:35][C:54](=[O:61])[O:64][CH:43]([CH2:39][O:62][C:52]([CH2:33][CH2:22][CH2:14][CH2:10][CH2:12][CH2:20][CH2:30][CH:46]1[CH:47]([CH2:32][CH:25]=[CH:28][CH:45]([CH:44]([CH2:6][CH3:3])[OH:57])[OH:58])[O:65]1)=[O:59])[CH2:40][O:63][C:53]([CH2:34][CH2:23][CH2:15][CH2:11][CH2:13][CH2:21][CH2:31][CH:49]1[CH:51]([CH2:38][CH:50]2[CH:48]([CH2:29][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:60])[OH:56])[OH:55] |
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