| Properties | Image |
|---|
| MNX_ID | MNXM1173686 |
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| reference | envipathM:...d6eadb726ece |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | PONNBXPGPUMLMT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-10-11-12-13-14-15-18-24-32-45(58)52(61)53(62)54(63)66-42(39-64-50(59)36-26-21-16-19-23-31-43(56)44(57)33-28-30-41(55)29-6-3)40-65-51(60)37-27-22-17-20-25-35-47-49(68-47)38-48-46(67-48)34-8-5-2/h10-11,13-14,28,30,41-49,52-53,55-58,61-62H,4-9,12,15-27,29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCC(O)C(O)C(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-10-11-12-13-14-15-18-24-32-45(58)52(61)53(62)54(63)66-42(39-64-50(59)36-26-21-16-19-23-31-43(56)44(57)33-28-30-41(55)29-6-3)40-65-51(60)37-27-22-17-20-25-35-47-49(68-47)38-48-46(67-48)34-8-5-2/h10-11,13-14,28,30,41-49,52-53,55-58,61-62H,4-9,12,15-27,29,31-40H2,1-3H3/b11-10?,14-13?,30-28?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:18][CH2:24][CH2:32][CH:45]([CH:52]([CH:53]([C:54](=[O:63])[O:66][CH:42]([CH2:39][O:64][C:50]([CH2:36][CH2:26][CH2:21][CH2:16][CH2:19][CH2:23][CH2:31][CH:43]([CH:44]([CH2:33][CH:28]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:57])[OH:56])=[O:59])[CH2:40][O:65][C:51]([CH2:37][CH2:27][CH2:22][CH2:17][CH2:20][CH2:25][CH2:35][CH:47]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:34][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)=[O:60])[OH:62])[OH:61])[OH:58] |
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