| Properties | Image |
|---|
| MNX_ID | MNXM1181141 |
 |
| reference | envipathM:...7385ea9cf473 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | IYMPDVKAQXLFNV-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-32-49-56(73-49)55(66)57-50(74-57)35-22-10-8-12-25-37-53(64)70-41-45(71-54(65)38-26-14-13-18-30-44(60)31-20-16-19-29-43(59)27-5-2)40-69-52(63)36-24-11-7-9-21-33-47-48(72-47)34-23-15-17-28-42(3)46(58(67)68)39-51(61)62/h19-20,29,31,42-50,55-57,59-60,66H,4-18,21-28,30,32-41H2,1-3H3,(H,61,62)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-32-49-56(73-49)55(66)57-50(74-57)35-22-10-8-12-25-37-53(64)70-41-45(71-54(65)38-26-14-13-18-30-44(60)31-20-16-19-29-43(59)27-5-2)40-69-52(63)36-24-11-7-9-21-33-47-48(72-47)34-23-15-17-28-42(3)46(58(67)68)39-51(61)62/h19-20,29,31,42-50,55-57,59-60,66H,4-18,21-28,30,32-41H2,1-3H3,(H,61,62)(H,67,68)/b29-19?,31-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,55?,56?,57? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:32][CH:49]1[CH:56]([CH:55]([CH:57]2[CH:50]([CH2:35][CH2:22][CH2:10][CH2:8][CH2:12][CH2:25][CH2:37][C:53](=[O:64])[O:70][CH2:41][CH:45]([CH2:40][O:69][C:52]([CH2:36][CH2:24][CH2:11][CH2:7][CH2:9][CH2:21][CH2:33][CH:47]3[CH:48]([CH2:34][CH2:23][CH2:15][CH2:17][CH2:28][CH:42]([CH3:3])[CH:46]([CH2:39][C:51](=[O:61])[OH:62])[C:58](=[O:67])[OH:68])[O:72]3)=[O:63])[O:71][C:54]([CH2:38][CH2:26][CH2:14][CH2:13][CH2:18][CH2:30][CH:44]([CH:31]=[CH:20][CH2:16][CH:19]=[CH:29][CH:43]([CH2:27][CH2:5][CH3:2])[OH:59])[OH:60])=[O:65])[O:74]2)[OH:66])[O:73]1 |
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