| Properties | Image |
|---|
| MNX_ID | MNXM1189392 |
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| reference | envipathM:...ad1d00a26d6f |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | FADJZJYCDPOVDD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-6-13-23-34-48-53(67-48)45(58)32-21-16-18-24-35-50(61)64-40-43(66-52(63)37-26-15-12-10-8-7-9-11-14-20-30-42(56)29-4-2)41-65-51(62)36-25-19-17-22-33-46(59)54-49(68-54)39-47(60)44(57)31-27-28-38-55/h9,11,13,20,23,30,42-49,53-60H,3-8,10,12,14-19,21-22,24-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-6-13-23-34-48-53(67-48)45(58)32-21-16-18-24-35-50(61)64-40-43(66-52(63)37-26-15-12-10-8-7-9-11-14-20-30-42(56)29-4-2)41-65-51(62)36-25-19-17-22-33-46(59)54-49(68-54)39-47(60)44(57)31-27-28-38-55/h9,11,13,20,23,30,42-49,53-60H,3-8,10,12,14-19,21-22,24-29,31-41H2,1-2H3/b11-9?,23-13?,30-20?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:13]=[CH:23][CH2:34][CH:48]1[CH:53]([CH:45]([CH2:32][CH2:21][CH2:16][CH2:18][CH2:24][CH2:35][C:50](=[O:61])[O:64][CH2:40][CH:43]([CH2:41][O:65][C:51]([CH2:36][CH2:25][CH2:19][CH2:17][CH2:22][CH2:33][CH:46]([CH:54]2[CH:49]([CH2:39][CH:47]([CH:44]([CH2:31][CH2:27][CH2:28][CH2:38][OH:55])[OH:57])[OH:60])[O:68]2)[OH:59])=[O:62])[O:66][C:52]([CH2:37][CH2:26][CH2:15][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:14][CH:20]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])=[O:63])[OH:58])[O:67]1 |
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