| Properties | Image |
|---|
| MNX_ID | MNXM1169793 |
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| reference | envipathM:...92565b4ec744 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | GATOIOUHUXIRFY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-11-12-13-14-15-16-17-18-21-27-33-44(57)54(63)66-41(40-65-50(60)37-31-25-20-23-29-35-47-53(68-47)43(56)32-26-10-8-5-2)39-64-49(59)36-30-24-19-22-28-34-46-48(67-46)38-45(58)52(62)51(61)42(55)6-3/h11-12,14-15,26,32,41-48,51-53,55-58,61-62H,4-10,13,16-25,27-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)C(O)CC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-11-12-13-14-15-16-17-18-21-27-33-44(57)54(63)66-41(40-65-50(60)37-31-25-20-23-29-35-47-53(68-47)43(56)32-26-10-8-5-2)39-64-49(59)36-30-24-19-22-28-34-46-48(67-46)38-45(58)52(62)51(61)42(55)6-3/h11-12,14-15,26,32,41-48,51-53,55-58,61-62H,4-10,13,16-25,27-31,33-40H2,1-3H3/b12-11?,15-14?,32-26?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:27][CH2:33][CH:44]([C:54](=[O:63])[O:66][CH:41]([CH2:39][O:64][C:49]([CH2:36][CH2:30][CH2:24][CH2:19][CH2:22][CH2:28][CH2:34][CH:46]1[CH:48]([CH2:38][CH:45]([CH:52]([CH:51]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:61])[OH:62])[OH:58])[O:67]1)=[O:59])[CH2:40][O:65][C:50]([CH2:37][CH2:31][CH2:25][CH2:20][CH2:23][CH2:29][CH2:35][CH:47]1[CH:53]([CH:43]([CH:32]=[CH:26][CH2:10][CH2:8][CH2:5][CH3:2])[OH:56])[O:68]1)=[O:60])[OH:57] |
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