| Properties | Image |
|---|
| MNX_ID | MNXM1192339 |
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| reference | envipathM:...55bb8f9b5129 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | IOGRCLSCKKTRFD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-10-12-13-17-22-29-41(55)50(60)42(56)30-28-31-43(57)54(62)65-40(38-63-48(58)36-26-20-14-18-24-34-45-44(66-45)33-23-16-11-8-5-2)39-64-49(59)37-27-21-15-19-25-35-47-53(68-47)51(61)52-46(67-52)32-9-6-3/h12-13,16,22-23,29,40-47,50-53,55-57,60-61H,4-11,14-15,17-21,24-28,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)C(O)CCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-10-12-13-17-22-29-41(55)50(60)42(56)30-28-31-43(57)54(62)65-40(38-63-48(58)36-26-20-14-18-24-34-45-44(66-45)33-23-16-11-8-5-2)39-64-49(59)37-27-21-15-19-25-35-47-53(68-47)51(61)52-46(67-52)32-9-6-3/h12-13,16,22-23,29,40-47,50-53,55-57,60-61H,4-11,14-15,17-21,24-28,30-39H2,1-3H3/b13-12?,23-16?,29-22?/t40?,41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:22]=[CH:29][CH:41]([CH:50]([CH:42]([CH2:30][CH2:28][CH2:31][CH:43]([C:54](=[O:62])[O:65][CH:40]([CH2:38][O:63][C:48]([CH2:36][CH2:26][CH2:20][CH2:14][CH2:18][CH2:24][CH2:34][CH:45]1[CH:44]([CH2:33][CH:23]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:58])[CH2:39][O:64][C:49]([CH2:37][CH2:27][CH2:21][CH2:15][CH2:19][CH2:25][CH2:35][CH:47]1[CH:53]([CH:51]([CH:52]2[CH:46]([CH2:32][CH2:9][CH2:6][CH3:3])[O:67]2)[OH:61])[O:68]1)=[O:59])[OH:57])[OH:56])[OH:60])[OH:55] |
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