| Properties | Image |
|---|
| MNX_ID | MNXM1197072 |
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| reference | envipathM:...0580fc513ecd |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | ACCZMUDPUHIQLK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-36(51)26(44)13-34(53-18)58-38-28(46)15-35(56-29(38)17-43)57-37-19(2)54-33(14-27(37)45)55-22-10-21-5-6-24-25(39(21,3)30(47)11-22)12-31(48)40(4)23(7-8-41(24,40)52)20(16-42)9-32(49)50/h9,17-19,21-29,31,33-38,42,44-46,48,51-52H,5-8,10-16H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C=O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(51)26(44)13-34(53-18)58-38-28(46)15-35(56-29(38)17-43)57-37-19(2)54-33(14-27(37)45)55-22-10-21-5-6-24-25(39(21,3)30(47)11-22)12-31(48)40(4)23(7-8-41(24,40)52)20(16-42)9-32(49)50/h9,17-19,21-29,31,33-38,42,44-46,48,51-52H,5-8,10-16H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:51])[CH:26]([OH:44])[CH2:13][CH:34]([O:58][CH:38]2[CH:28]([OH:46])[CH2:15][CH:35]([O:57][CH:37]3[CH:19]([CH3:2])[O:54][CH:33]([O:55][CH:22]4[CH2:10][CH:21]5[CH2:5][CH2:6][CH:24]6[CH:25]([CH2:12][CH:31]([OH:48])[C:40]7([CH3:4])[CH:23]([C:20](=[CH:9][C:32](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:7][CH2:8][C:41]67[OH:52])[C:39]5([CH3:3])[C:30](=[O:47])[CH2:11]4)[CH2:14][CH:27]3[OH:45])[O:56][CH:29]2[CH:17]=[O:43])[O:53]1 |
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