| Properties | Image |
|---|
| MNX_ID | MNXM1180080 |
 |
| reference | envipathM:...6c970bd47e7d |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | HIGPGQMGTHRVDC-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-4-6-8-18-27-35-48-49(73-48)36-29-24-23-26-34-46(60)58(69)71-42-44(41-70-52(62)38-30-22-17-20-28-37-50-51(74-50)40-47(61)45(59)33-7-5-2)72-53(63)39-31-21-16-14-12-10-9-11-13-15-19-25-32-43(3)54(56(65)66)55(64)57(67)68/h9,11,18,27,43-51,54-55,59-61,64H,4-8,10,12-17,19-26,28-42H2,1-3H3,(H,65,66)(H,67,68)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-4-6-8-18-27-35-48-49(73-48)36-29-24-23-26-34-46(60)58(69)71-42-44(41-70-52(62)38-30-22-17-20-28-37-50-51(74-50)40-47(61)45(59)33-7-5-2)72-53(63)39-31-21-16-14-12-10-9-11-13-15-19-25-32-43(3)54(56(65)66)55(64)57(67)68/h9,11,18,27,43-51,54-55,59-61,64H,4-8,10,12-17,19-26,28-42H2,1-3H3,(H,65,66)(H,67,68)/b11-9?,27-18?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,54?,55? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:18]=[CH:27][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:29][CH2:24][CH2:23][CH2:26][CH2:34][CH:46]([C:58](=[O:69])[O:71][CH2:42][CH:44]([CH2:41][O:70][C:52]([CH2:38][CH2:30][CH2:22][CH2:17][CH2:20][CH2:28][CH2:37][CH:50]2[CH:51]([CH2:40][CH:47]([CH:45]([CH2:33][CH2:7][CH2:5][CH3:2])[OH:59])[OH:61])[O:74]2)=[O:62])[O:72][C:53]([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:43]([CH3:3])[CH:54]([CH:55]([C:57](=[O:67])[OH:68])[OH:64])[C:56](=[O:65])[OH:66])=[O:63])[OH:60])[O:73]1 |
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