| Properties | Image |
|---|
| MNX_ID | MNXM1170483 |
 |
| reference | envipathM:...283988bc896b |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | YBEUKEDHSBGXRB-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-4-6-33-50-52(72-50)40-53-51(73-53)36-25-17-13-19-28-38-56(64)69-42-45(70-58(67)47(60)32-23-15-11-9-7-8-10-14-22-31-44(59)29-5-2)41-68-55(63)37-27-18-12-16-24-34-48-49(71-48)35-26-20-21-30-43(3)46(57(65)66)39-54(61)62/h8,10,22,31,43-53,59-60H,4-7,9,11-21,23-30,32-42H2,1-3H3,(H,61,62)(H,65,66)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-4-6-33-50-52(72-50)40-53-51(73-53)36-25-17-13-19-28-38-56(64)69-42-45(70-58(67)47(60)32-23-15-11-9-7-8-10-14-22-31-44(59)29-5-2)41-68-55(63)37-27-18-12-16-24-34-48-49(71-48)35-26-20-21-30-43(3)46(57(65)66)39-54(61)62/h8,10,22,31,43-53,59-60H,4-7,9,11-21,23-30,32-42H2,1-3H3,(H,61,62)(H,65,66)/b10-8?,31-22?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:33][CH:50]1[CH:52]([CH2:40][CH:53]2[CH:51]([CH2:36][CH2:25][CH2:17][CH2:13][CH2:19][CH2:28][CH2:38][C:56](=[O:64])[O:69][CH2:42][CH:45]([CH2:41][O:68][C:55]([CH2:37][CH2:27][CH2:18][CH2:12][CH2:16][CH2:24][CH2:34][CH:48]3[CH:49]([CH2:35][CH2:26][CH2:20][CH2:21][CH2:30][CH:43]([CH3:3])[CH:46]([CH2:39][C:54](=[O:61])[OH:62])[C:57](=[O:65])[OH:66])[O:71]3)=[O:63])[O:70][C:58]([CH:47]([CH2:32][CH2:23][CH2:15][CH2:11][CH2:9][CH2:7][CH:8]=[CH:10][CH2:14][CH:22]=[CH:31][CH:44]([CH2:29][CH2:5][CH3:2])[OH:59])[OH:60])=[O:67])[O:73]2)[O:72]1 |
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