| Properties | Image |
|---|
| MNX_ID | MNXM1176540 |
 |
| reference | envipathM:...e3618c064d75 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | UJBFQZGNPHKPOK-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-31-39-50(61)71-43(40-69-49(60)38-30-21-18-19-28-37-48-55(74-48)53(63)54-47(73-54)34-7-5-2)41-70-58(68)44(59)33-26-22-23-27-35-45-46(72-45)36-29-24-25-32-42(3)51(56(64)65)52(62)57(66)67/h9-10,12-13,42-48,51-55,59,62-63H,4-8,11,14-41H2,1-3H3,(H,64,65)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-31-39-50(61)71-43(40-69-49(60)38-30-21-18-19-28-37-48-55(74-48)53(63)54-47(73-54)34-7-5-2)41-70-58(68)44(59)33-26-22-23-27-35-45-46(72-45)36-29-24-25-32-42(3)51(56(64)65)52(62)57(66)67/h9-10,12-13,42-48,51-55,59,62-63H,4-8,11,14-41H2,1-3H3,(H,64,65)(H,66,67)/b10-9?,13-12?/t42?,43?,44?,45?,46?,47?,48?,51?,52?,53?,54?,55? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:31][CH2:39][C:50](=[O:61])[O:71][CH:43]([CH2:40][O:69][C:49]([CH2:38][CH2:30][CH2:21][CH2:18][CH2:19][CH2:28][CH2:37][CH:48]1[CH:55]([CH:53]([CH:54]2[CH:47]([CH2:34][CH2:7][CH2:5][CH3:2])[O:73]2)[OH:63])[O:74]1)=[O:60])[CH2:41][O:70][C:58]([CH:44]([CH2:33][CH2:26][CH2:22][CH2:23][CH2:27][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:29][CH2:24][CH2:25][CH2:32][CH:42]([CH3:3])[CH:51]([CH:52]([C:57](=[O:66])[OH:67])[OH:62])[C:56](=[O:64])[OH:65])[O:72]1)[OH:59])=[O:68] |
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