| Properties | Image |
|---|
| MNX_ID | MNXM1180777 |
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| reference | envipathM:...ea52eba1b929 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | FKHKPGSVBTYRGW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-31-44(57)47(60)38-50-48(67-50)34-23-16-14-18-24-36-51(61)64-39-43(66-52(62)37-25-17-13-11-9-8-10-12-15-20-29-41(55)27-5-2)40-65-54(63)46(59)33-22-19-21-32-45(58)53-49(68-53)35-26-30-42(56)28-6-3/h10,12,20,26,29-30,41-50,53,55-60H,4-9,11,13-19,21-25,27-28,31-40H2,1-3H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(O)C1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-31-44(57)47(60)38-50-48(67-50)34-23-16-14-18-24-36-51(61)64-39-43(66-52(62)37-25-17-13-11-9-8-10-12-15-20-29-41(55)27-5-2)40-65-54(63)46(59)33-22-19-21-32-45(58)53-49(68-53)35-26-30-42(56)28-6-3/h10,12,20,26,29-30,41-50,53,55-60H,4-9,11,13-19,21-25,27-28,31-40H2,1-3H3/b12-10?,29-20?,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][CH2:31][CH:44]([CH:47]([CH2:38][CH:50]1[CH:48]([CH2:34][CH2:23][CH2:16][CH2:14][CH2:18][CH2:24][CH2:36][C:51](=[O:61])[O:64][CH2:39][CH:43]([CH2:40][O:65][C:54]([CH:46]([CH2:33][CH2:22][CH2:19][CH2:21][CH2:32][CH:45]([CH:53]2[CH:49]([CH2:35][CH:26]=[CH:30][CH:42]([CH2:28][CH2:6][CH3:3])[OH:56])[O:68]2)[OH:58])[OH:59])=[O:63])[O:66][C:52]([CH2:37][CH2:25][CH2:17][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:15][CH:20]=[CH:29][CH:41]([CH2:27][CH2:5][CH3:2])[OH:55])=[O:62])[O:67]1)[OH:60])[OH:57] |
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