| Properties | Image |
|---|
| MNX_ID | MNXM1171426 |
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| reference | envipathM:...d34f8beb9c38 |
| formula | C58H94O15 |
| global charge | -2 |
| mol weight | 1031.375 |
| InChIKey | QQUHWQNDHRUWRI-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H96O15/c1-3-4-33-50-52(72-50)41-53-51(73-53)36-26-16-13-19-28-37-55(63)68-42-45(43-69-58(67)47(60)32-24-20-21-27-35-49-48(71-49)34-25-17-14-22-30-39-59)70-56(64)38-29-18-12-10-8-6-5-7-9-11-15-23-31-44(2)46(57(65)66)40-54(61)62/h5,7,17,25,39,44-53,60H,3-4,6,8-16,18-24,26-38,40-43H2,1-2H3,(H,61,62)(H,65,66)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCC=O)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H96O15/c1-3-4-33-50-52(72-50)41-53-51(73-53)36-26-16-13-19-28-37-55(63)68-42-45(43-69-58(67)47(60)32-24-20-21-27-35-49-48(71-49)34-25-17-14-22-30-39-59)70-56(64)38-29-18-12-10-8-6-5-7-9-11-15-23-31-44(2)46(57(65)66)40-54(61)62/h5,7,17,25,39,44-53,60H,3-4,6,8-16,18-24,26-38,40-43H2,1-2H3,(H,61,62)(H,65,66)/b7-5?,25-17?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:33][CH:50]1[CH:52]([CH2:41][CH:53]2[CH:51]([CH2:36][CH2:26][CH2:16][CH2:13][CH2:19][CH2:28][CH2:37][C:55](=[O:63])[O:68][CH2:42][CH:45]([CH2:43][O:69][C:58]([CH:47]([CH2:32][CH2:24][CH2:20][CH2:21][CH2:27][CH2:35][CH:49]3[CH:48]([CH2:34][CH:25]=[CH:17][CH2:14][CH2:22][CH2:30][CH:39]=[O:59])[O:71]3)[OH:60])=[O:67])[O:70][C:56]([CH2:38][CH2:29][CH2:18][CH2:12][CH2:10][CH2:8][CH2:6][CH:5]=[CH:7][CH2:9][CH2:11][CH2:15][CH2:23][CH2:31][CH:44]([CH3:2])[CH:46]([CH2:40][C:54](=[O:61])[OH:62])[C:57](=[O:65])[OH:66])=[O:64])[O:73]2)[O:72]1 |
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