| Properties | Image |
|---|
| MNX_ID | MNXM1176167 |
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| reference | envipathM:...0e43bc8fd4e1 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | ZLVSELULEXYHTO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-10-11-13-19-28-42(56)29-20-16-17-25-37-52(62)66-43(39-64-51(61)36-24-15-12-14-23-34-48-49(67-48)35-26-30-41(55)27-6-3)40-65-54(63)46(59)33-22-18-21-32-45(58)53-50(68-53)38-47(60)44(57)31-8-5-2/h10-11,19,26,28,30,41-50,53,55-60H,4-9,12-18,20-25,27,29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCC(O)C1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-10-11-13-19-28-42(56)29-20-16-17-25-37-52(62)66-43(39-64-51(61)36-24-15-12-14-23-34-48-49(67-48)35-26-30-41(55)27-6-3)40-65-54(63)46(59)33-22-18-21-32-45(58)53-50(68-53)38-47(60)44(57)31-8-5-2/h10-11,19,26,28,30,41-50,53,55-60H,4-9,12-18,20-25,27,29,31-40H2,1-3H3/b11-10?,28-19?,30-26?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:13][CH:19]=[CH:28][CH:42]([CH2:29][CH2:20][CH2:16][CH2:17][CH2:25][CH2:37][C:52](=[O:62])[O:66][CH:43]([CH2:39][O:64][C:51]([CH2:36][CH2:24][CH2:15][CH2:12][CH2:14][CH2:23][CH2:34][CH:48]1[CH:49]([CH2:35][CH:26]=[CH:30][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[O:67]1)=[O:61])[CH2:40][O:65][C:54]([CH:46]([CH2:33][CH2:22][CH2:18][CH2:21][CH2:32][CH:45]([CH:53]1[CH:50]([CH2:38][CH:47]([CH:44]([CH2:31][CH2:8][CH2:5][CH3:2])[OH:57])[OH:60])[O:68]1)[OH:58])[OH:59])=[O:63])[OH:56] |
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