| Properties | Image |
|---|
| MNX_ID | MNXM1197569 |
 |
| reference | envipathM:...f508e9099644 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | GEMYJKTZSBVXGU-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-9-10-12-20-29-43(59)30-21-18-23-32-47(61)58(68)71-44(40-69-54(64)36-26-14-11-13-24-34-49-52(73-49)39-51-48(72-51)33-7-5-2)41-70-55(65)37-27-16-15-22-31-46(60)56-50(74-56)35-25-17-19-28-42(3)45(57(66)67)38-53(62)63/h9-10,20,29,42-52,56,59-61H,4-8,11-19,21-28,30-41H2,1-3H3,(H,62,63)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC=CC(O)CCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-9-10-12-20-29-43(59)30-21-18-23-32-47(61)58(68)71-44(40-69-54(64)36-26-14-11-13-24-34-49-52(73-49)39-51-48(72-51)33-7-5-2)41-70-55(65)37-27-16-15-22-31-46(60)56-50(74-56)35-25-17-19-28-42(3)45(57(66)67)38-53(62)63/h9-10,20,29,42-52,56,59-61H,4-8,11-19,21-28,30-41H2,1-3H3,(H,62,63)(H,66,67)/b10-9?,29-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,56? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:12][CH:20]=[CH:29][CH:43]([CH2:30][CH2:21][CH2:18][CH2:23][CH2:32][CH:47]([C:58](=[O:68])[O:71][CH:44]([CH2:40][O:69][C:54]([CH2:36][CH2:26][CH2:14][CH2:11][CH2:13][CH2:24][CH2:34][CH:49]1[CH:52]([CH2:39][CH:51]2[CH:48]([CH2:33][CH2:7][CH2:5][CH3:2])[O:72]2)[O:73]1)=[O:64])[CH2:41][O:70][C:55]([CH2:37][CH2:27][CH2:16][CH2:15][CH2:22][CH2:31][CH:46]([CH:56]1[CH:50]([CH2:35][CH2:25][CH2:17][CH2:19][CH2:28][CH:42]([CH3:3])[CH:45]([CH2:38][C:53](=[O:62])[OH:63])[C:57](=[O:66])[OH:67])[O:74]1)[OH:60])=[O:65])[OH:61])[OH:59] |
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