| Properties | Image |
|---|
| MNX_ID | MNXM1180454 |
 |
| reference | envipathM:...ec5b0ecad527 |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | PPHWZFKWAHVXLP-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-4-6-35-50-52(72-50)41-53-51(73-53)36-26-17-14-20-28-38-56(65)70-43-46(71-57(66)39-29-18-12-10-8-7-9-11-15-23-32-45(59)30-5-2)42-69-55(64)37-27-19-13-16-24-33-48(60)49(61)34-25-21-22-31-44(3)47(58(67)68)40-54(62)63/h9,11,23,32,44-47,49-53,59,61H,4-8,10,12-22,24-31,33-43H2,1-3H3,(H,62,63)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(=O)C(O)CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-4-6-35-50-52(72-50)41-53-51(73-53)36-26-17-14-20-28-38-56(65)70-43-46(71-57(66)39-29-18-12-10-8-7-9-11-15-23-32-45(59)30-5-2)42-69-55(64)37-27-19-13-16-24-33-48(60)49(61)34-25-21-22-31-44(3)47(58(67)68)40-54(62)63/h9,11,23,32,44-47,49-53,59,61H,4-8,10,12-22,24-31,33-43H2,1-3H3,(H,62,63)(H,67,68)/b11-9?,32-23?/t44?,45?,46?,47?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:35][CH:50]1[CH:52]([CH2:41][CH:53]2[CH:51]([CH2:36][CH2:26][CH2:17][CH2:14][CH2:20][CH2:28][CH2:38][C:56](=[O:65])[O:70][CH2:43][CH:46]([CH2:42][O:69][C:55]([CH2:37][CH2:27][CH2:19][CH2:13][CH2:16][CH2:24][CH2:33][C:48]([CH:49]([CH2:34][CH2:25][CH2:21][CH2:22][CH2:31][CH:44]([CH3:3])[CH:47]([CH2:40][C:54](=[O:62])[OH:63])[C:58](=[O:67])[OH:68])[OH:61])=[O:60])=[O:64])[O:71][C:57]([CH2:39][CH2:29][CH2:18][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:23]=[CH:32][CH:45]([CH2:30][CH2:5][CH3:2])[OH:59])=[O:66])[O:73]2)[O:72]1 |
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