| Properties | Image |
|---|
| MNX_ID | MNXM1192290 |
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| reference | envipathM:...66188fa4ff1f |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | HKYTZSZAMKVRNQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-9-10-11-12-13-14-15-16-17-19-26-35-48(60)54(64)67-43(40-65-51(62)37-27-21-18-20-24-33-44(56)45(57)36-29-31-42(55)30-6-3)41-66-52(63)38-28-23-22-25-34-47(59)53-50(68-53)39-49(61)46(58)32-8-5-2/h10-11,13-14,29,31,42-50,53,55-61H,4-9,12,15-28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-9-10-11-12-13-14-15-16-17-19-26-35-48(60)54(64)67-43(40-65-51(62)37-27-21-18-20-24-33-44(56)45(57)36-29-31-42(55)30-6-3)41-66-52(63)38-28-23-22-25-34-47(59)53-50(68-53)39-49(61)46(58)32-8-5-2/h10-11,13-14,29,31,42-50,53,55-61H,4-9,12,15-28,30,32-41H2,1-3H3/b11-10?,14-13?,31-29?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,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][CH2:16][CH2:17][CH2:19][CH2:26][CH2:35][CH:48]([C:54](=[O:64])[O:67][CH:43]([CH2:40][O:65][C:51]([CH2:37][CH2:27][CH2:21][CH2:18][CH2:20][CH2:24][CH2:33][CH:44]([CH:45]([CH2:36][CH:29]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])[OH:57])[OH:56])=[O:62])[CH2:41][O:66][C:52]([CH2:38][CH2:28][CH2:23][CH2:22][CH2:25][CH2:34][CH:47]([CH:53]1[CH:50]([CH2:39][CH:49]([CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[OH:58])[OH:61])[O:68]1)[OH:59])=[O:63])[OH:60] |
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