| Properties | Image |
|---|
| MNX_ID | MNXM1178222 |
 |
| reference | envipathM:...f03a5598516f |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | GSMHLDPNDJKNBE-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-31-48-56(73-48)54(66)57-49(74-57)33-25-19-16-22-27-35-52(64)70-41-44(40-69-51(63)34-26-21-15-18-24-32-47-55(72-47)46(60)38-37-43(59)29-5-2)71-53(65)36-28-20-14-12-10-8-7-9-11-13-17-23-30-42(3)45(58(67)68)39-50(61)62/h7,9,37-38,42-49,54-57,59-60,66H,4-6,8,10-36,39-41H2,1-3H3,(H,61,62)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-31-48-56(73-48)54(66)57-49(74-57)33-25-19-16-22-27-35-52(64)70-41-44(40-69-51(63)34-26-21-15-18-24-32-47-55(72-47)46(60)38-37-43(59)29-5-2)71-53(65)36-28-20-14-12-10-8-7-9-11-13-17-23-30-42(3)45(58(67)68)39-50(61)62/h7,9,37-38,42-49,54-57,59-60,66H,4-6,8,10-36,39-41H2,1-3H3,(H,61,62)(H,67,68)/b9-7?,38-37?/t42?,43?,44?,45?,46?,47?,48?,49?,54?,55?,56?,57? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:31][CH:48]1[CH:56]([CH:54]([CH:57]2[CH:49]([CH2:33][CH2:25][CH2:19][CH2:16][CH2:22][CH2:27][CH2:35][C:52](=[O:64])[O:70][CH2:41][CH:44]([CH2:40][O:69][C:51]([CH2:34][CH2:26][CH2:21][CH2:15][CH2:18][CH2:24][CH2:32][CH:47]3[CH:55]([CH:46]([CH:38]=[CH:37][CH:43]([CH2:29][CH2:5][CH3:2])[OH:59])[OH:60])[O:72]3)=[O:63])[O:71][C:53]([CH2:36][CH2:28][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH:7]=[CH:9][CH2:11][CH2:13][CH2:17][CH2:23][CH2:30][CH:42]([CH3:3])[CH:45]([CH2:39][C:50](=[O:61])[OH:62])[C:58](=[O:67])[OH:68])=[O:65])[O:74]2)[OH:66])[O:73]1 |
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