| Properties | Image |
|---|
| MNX_ID | MNXM1193574 |
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| reference | envipathM:...8870aaa07216 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | FBNOTPIORCSIGD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-8-23-33-45(58)52-48(67-52)35-26-21-20-25-34-46(59)54(63)65-40-42(66-51(62)37-28-18-14-12-10-9-11-13-16-22-31-41(55)29-5-2)39-64-50(61)36-27-19-15-17-24-32-43(56)47(60)38-49-53(68-49)44(57)30-6-3/h11,13,22-23,31,33,41-49,52-53,55-60H,4-10,12,14-21,24-30,32,34-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-8-23-33-45(58)52-48(67-52)35-26-21-20-25-34-46(59)54(63)65-40-42(66-51(62)37-28-18-14-12-10-9-11-13-16-22-31-41(55)29-5-2)39-64-50(61)36-27-19-15-17-24-32-43(56)47(60)38-49-53(68-49)44(57)30-6-3/h11,13,22-23,31,33,41-49,52-53,55-60H,4-10,12,14-21,24-30,32,34-40H2,1-3H3/b13-11?,31-22?,33-23?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:23]=[CH:33][CH:45]([CH:52]1[CH:48]([CH2:35][CH2:26][CH2:21][CH2:20][CH2:25][CH2:34][CH:46]([C:54](=[O:63])[O:65][CH2:40][CH:42]([CH2:39][O:64][C:50]([CH2:36][CH2:27][CH2:19][CH2:15][CH2:17][CH2:24][CH2:32][CH:43]([CH:47]([CH2:38][CH:49]2[CH:53]([CH:44]([CH2:30][CH2:6][CH3:3])[OH:57])[O:68]2)[OH:60])[OH:56])=[O:61])[O:66][C:51]([CH2:37][CH2:28][CH2:18][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:16][CH:22]=[CH:31][CH:41]([CH2:29][CH2:5][CH3:2])[OH:55])=[O:62])[OH:59])[O:67]1)[OH:58] |
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