| Properties | Image |
|---|
| MNX_ID | MNXM1188303 |
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| reference | envipathM:...e1db6e881fe6 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | XCPBBZCUAQXHNL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-30-46(59)47(60)38-51-50(68-51)33-24-18-15-21-26-36-53(62)65-41-43(66-54(63)37-27-19-13-11-9-7-6-8-10-12-16-22-29-42(56)39-55)40-64-52(61)35-25-20-14-17-23-32-48-49(67-48)34-28-31-45(58)44(57)4-2/h6,8,12,16,28,31,42-51,55-60H,3-5,7,9-11,13-15,17-27,29-30,32-41H2,1-2H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-30-46(59)47(60)38-51-50(68-51)33-24-18-15-21-26-36-53(62)65-41-43(66-54(63)37-27-19-13-11-9-7-6-8-10-12-16-22-29-42(56)39-55)40-64-52(61)35-25-20-14-17-23-32-48-49(67-48)34-28-31-45(58)44(57)4-2/h6,8,12,16,28,31,42-51,55-60H,3-5,7,9-11,13-15,17-27,29-30,32-41H2,1-2H3/b8-6?,16-12?,31-28?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:30][CH:46]([CH:47]([CH2:38][CH:51]1[CH:50]([CH2:33][CH2:24][CH2:18][CH2:15][CH2:21][CH2:26][CH2:36][C:53](=[O:62])[O:65][CH2:41][CH:43]([CH2:40][O:64][C:52]([CH2:35][CH2:25][CH2:20][CH2:14][CH2:17][CH2:23][CH2:32][CH:48]2[CH:49]([CH2:34][CH:28]=[CH:31][CH:45]([CH:44]([CH2:4][CH3:2])[OH:57])[OH:58])[O:67]2)=[O:61])[O:66][C:54]([CH2:37][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH:12]=[CH:16][CH2:22][CH2:29][CH:42]([CH2:39][OH:55])[OH:56])=[O:63])[O:68]1)[OH:60])[OH:59] |
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