| Properties | Image |
|---|
| MNX_ID | MNXM1175652 |
 |
| reference | envipathM:...229e672e9fd8 |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | CNNBAIYVQAHEPA-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-4-6-8-18-27-35-49-50(73-49)36-28-20-17-22-29-37-53(64)70-42-45(43-71-54(65)38-30-24-23-26-34-47(60)56-51(74-56)40-48(61)46(59)33-7-5-2)72-55(66)39-31-21-16-14-12-10-9-11-13-15-19-25-32-44(3)58(69,57(67)68)41-52(62)63/h9,11,18,27,44-51,56,59-61,69H,4-8,10,12-17,19-26,28-43H2,1-3H3,(H,62,63)(H,67,68)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-4-6-8-18-27-35-49-50(73-49)36-28-20-17-22-29-37-53(64)70-42-45(43-71-54(65)38-30-24-23-26-34-47(60)56-51(74-56)40-48(61)46(59)33-7-5-2)72-55(66)39-31-21-16-14-12-10-9-11-13-15-19-25-32-44(3)58(69,57(67)68)41-52(62)63/h9,11,18,27,44-51,56,59-61,69H,4-8,10,12-17,19-26,28-43H2,1-3H3,(H,62,63)(H,67,68)/b11-9?,27-18?/t44?,45?,46?,47?,48?,49?,50?,51?,56?,58? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:18]=[CH:27][CH2:35][CH:49]1[CH:50]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:22][CH2:29][CH2:37][C:53](=[O:64])[O:70][CH2:42][CH:45]([CH2:43][O:71][C:54]([CH2:38][CH2:30][CH2:24][CH2:23][CH2:26][CH2:34][CH:47]([CH:56]2[CH:51]([CH2:40][CH:48]([CH:46]([CH2:33][CH2:7][CH2:5][CH3:2])[OH:59])[OH:61])[O:74]2)[OH:60])=[O:65])[O:72][C:55]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:9]=[CH:11][CH2:13][CH2:15][CH2:19][CH2:25][CH2:32][CH:44]([CH3:3])[C:58]([CH2:41][C:52](=[O:62])[OH:63])([C:57](=[O:67])[OH:68])[OH:69])=[O:66])[O:73]1 |
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