| Properties | Image |
|---|
| MNX_ID | MNXM1180768 |
 |
| reference | envipathM:...ed6b37f03a6e |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | DFVGOZDFXMNKQG-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-30-50-52(73-50)39-53-51(74-53)33-23-15-12-18-26-35-56(65)70-42-46(71-57(66)36-27-16-10-8-6-5-7-9-13-21-29-44(60)37-45(61)40-59)41-69-55(64)34-25-17-11-14-22-31-48-49(72-48)32-24-19-20-28-43(2)47(58(67)68)38-54(62)63/h7,9,21,29,43-53,59-61H,3-6,8,10-20,22-28,30-42H2,1-2H3,(H,62,63)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCC=CC(O)CC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-30-50-52(73-50)39-53-51(74-53)33-23-15-12-18-26-35-56(65)70-42-46(71-57(66)36-27-16-10-8-6-5-7-9-13-21-29-44(60)37-45(61)40-59)41-69-55(64)34-25-17-11-14-22-31-48-49(72-48)32-24-19-20-28-43(2)47(58(67)68)38-54(62)63/h7,9,21,29,43-53,59-61H,3-6,8,10-20,22-28,30-42H2,1-2H3,(H,62,63)(H,67,68)/b9-7?,29-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:30][CH:50]1[CH:52]([CH2:39][CH:53]2[CH:51]([CH2:33][CH2:23][CH2:15][CH2:12][CH2:18][CH2:26][CH2:35][C:56](=[O:65])[O:70][CH2:42][CH:46]([CH2:41][O:69][C:55]([CH2:34][CH2:25][CH2:17][CH2:11][CH2:14][CH2:22][CH2:31][CH:48]3[CH:49]([CH2:32][CH2:24][CH2:19][CH2:20][CH2:28][CH:43]([CH3:2])[CH:47]([CH2:38][C:54](=[O:62])[OH:63])[C:58](=[O:67])[OH:68])[O:72]3)=[O:64])[O:71][C:57]([CH2:36][CH2:27][CH2:16][CH2:10][CH2:8][CH2:6][CH2:5][CH:7]=[CH:9][CH2:13][CH:21]=[CH:29][CH:44]([CH2:37][CH:45]([CH2:40][OH:59])[OH:61])[OH:60])=[O:66])[O:74]2)[O:73]1 |
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