| Properties | Image |
|---|
| MNX_ID | MNXM1182048 |
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| reference | envipathM:...796d411782d1 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | QNYYWABTMMPZNU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-18-25-33-45(58)54(63)66-42(41-65-51(61)37-28-22-20-24-32-44(57)53-48(68-53)35-26-17-8-6-4-2)40-64-50(60)36-27-21-19-23-31-43(56)52(62)46(59)39-49-47(67-49)34-29-30-38-55/h9-10,12-13,17,26,42-49,52-53,55-59,62H,3-8,11,14-16,18-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1CCCCO)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-18-25-33-45(58)54(63)66-42(41-65-51(61)37-28-22-20-24-32-44(57)53-48(68-53)35-26-17-8-6-4-2)40-64-50(60)36-27-21-19-23-31-43(56)52(62)46(59)39-49-47(67-49)34-29-30-38-55/h9-10,12-13,17,26,42-49,52-53,55-59,62H,3-8,11,14-16,18-25,27-41H2,1-2H3/b10-9?,13-12?,26-17?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:25][CH2:33][CH:45]([C:54](=[O:63])[O:66][CH:42]([CH2:40][O:64][C:50]([CH2:36][CH2:27][CH2:21][CH2:19][CH2:23][CH2:31][CH:43]([CH:52]([CH:46]([CH2:39][CH:49]1[CH:47]([CH2:34][CH2:29][CH2:30][CH2:38][OH:55])[O:67]1)[OH:59])[OH:62])[OH:56])=[O:60])[CH2:41][O:65][C:51]([CH2:37][CH2:28][CH2:22][CH2:20][CH2:24][CH2:32][CH:44]([CH:53]1[CH:48]([CH2:35][CH:26]=[CH:17][CH2:8][CH2:6][CH2:4][CH3:2])[O:68]1)[OH:57])=[O:61])[OH:58] |
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