| Properties | Image |
|---|
| MNX_ID | MNXM1181207 |
 |
| reference | envipathM:...536c55ec6333 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | XHUADNWCSXKFBK-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-32-49-51(73-49)40-52-50(74-52)35-24-12-7-15-26-37-55(64)70-43-46(42-69-54(63)36-25-14-6-11-22-33-47-48(72-47)34-23-13-8-18-28-39-59)71-56(65)38-27-17-16-21-31-45(60)30-20-10-5-9-19-29-44(2)58(68,57(66)67)41-53(61)62/h13,20,23,30,44-52,59-60,68H,3-12,14-19,21-22,24-29,31-43H2,1-2H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCC(O)C=CCCCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-32-49-51(73-49)40-52-50(74-52)35-24-12-7-15-26-37-55(64)70-43-46(42-69-54(63)36-25-14-6-11-22-33-47-48(72-47)34-23-13-8-18-28-39-59)71-56(65)38-27-17-16-21-31-45(60)30-20-10-5-9-19-29-44(2)58(68,57(66)67)41-53(61)62/h13,20,23,30,44-52,59-60,68H,3-12,14-19,21-22,24-29,31-43H2,1-2H3,(H,61,62)(H,66,67)/b23-13?,30-20?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,58? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:32][CH:49]1[CH:51]([CH2:40][CH:52]2[CH:50]([CH2:35][CH2:24][CH2:12][CH2:7][CH2:15][CH2:26][CH2:37][C:55](=[O:64])[O:70][CH2:43][CH:46]([CH2:42][O:69][C:54]([CH2:36][CH2:25][CH2:14][CH2:6][CH2:11][CH2:22][CH2:33][CH:47]3[CH:48]([CH2:34][CH:23]=[CH:13][CH2:8][CH2:18][CH2:28][CH2:39][OH:59])[O:72]3)=[O:63])[O:71][C:56]([CH2:38][CH2:27][CH2:17][CH2:16][CH2:21][CH2:31][CH:45]([CH:30]=[CH:20][CH2:10][CH2:5][CH2:9][CH2:19][CH2:29][CH:44]([CH3:2])[C:58]([CH2:41][C:53](=[O:61])[OH:62])([C:57](=[O:66])[OH:67])[OH:68])[OH:60])=[O:65])[O:74]2)[O:73]1 |
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