| Properties | Image |
|---|
| MNX_ID | MNXM1176045 |
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| reference | envipathM:...41d8c8f55056 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | KEKOTYAMNAQYBY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-27-35-52(63)66-43(40-64-50(61)33-25-20-17-18-24-32-48-53(67-48)46(59)37-36-42(56)29-28-38-55)41-65-51(62)34-26-22-21-23-31-45(58)54-49(68-54)39-47(60)44(57)30-6-4-2/h8-9,11-12,36-37,42-49,53-60H,3-7,10,13-35,38-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCCO)COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-27-35-52(63)66-43(40-64-50(61)33-25-20-17-18-24-32-48-53(67-48)46(59)37-36-42(56)29-28-38-55)41-65-51(62)34-26-22-21-23-31-45(58)54-49(68-54)39-47(60)44(57)30-6-4-2/h8-9,11-12,36-37,42-49,53-60H,3-7,10,13-35,38-41H2,1-2H3/b9-8?,12-11?,37-36?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:27][CH2:35][C:52](=[O:63])[O:66][CH:43]([CH2:40][O:64][C:50]([CH2:33][CH2:25][CH2:20][CH2:17][CH2:18][CH2:24][CH2:32][CH:48]1[CH:53]([CH:46]([CH:37]=[CH:36][CH:42]([CH2:29][CH2:28][CH2:38][OH:55])[OH:56])[OH:59])[O:67]1)=[O:61])[CH2:41][O:65][C:51]([CH2:34][CH2:26][CH2:22][CH2:21][CH2:23][CH2:31][CH:45]([CH:54]1[CH:49]([CH2:39][CH:47]([CH:44]([CH2:30][CH2:6][CH2:4][CH3:2])[OH:57])[OH:60])[O:68]1)[OH:58])=[O:62] |
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