| Properties | Image |
|---|
| MNX_ID | MNXM1196103 |
 |
| reference | envipathM:...d58149e7ce77 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | CCHPDMOUPNVGQF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(51)24(44)12-32(54-18)58-36-19(2)55-33(13-25(36)45)59-37-26(46)14-34(57-27(37)17-43)56-22-10-21-5-6-28-40(52)8-7-23(20(16-42)9-31(49)50)39(40,4)30(48)15-41(28,53)38(21,3)29(47)11-22/h9,18-19,21-24,26-30,32-37,42-44,46-48,51-53H,5-8,10-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4(O)CC(O)C4(C)C(C(=CC(=O)[O-])CO)CCC54O)C3)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(51)24(44)12-32(54-18)58-36-19(2)55-33(13-25(36)45)59-37-26(46)14-34(57-27(37)17-43)56-22-10-21-5-6-28-40(52)8-7-23(20(16-42)9-31(49)50)39(40,4)30(48)15-41(28,53)38(21,3)29(47)11-22/h9,18-19,21-24,26-30,32-37,42-44,46-48,51-53H,5-8,10-17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:51])[CH:24]([OH:44])[CH2:12][CH:32]([O:58][CH:36]2[CH:19]([CH3:2])[O:55][CH:33]([O:59][CH:37]3[CH:26]([OH:46])[CH2:14][CH:34]([O:56][CH:22]4[CH2:10][CH:21]5[CH2:5][CH2:6][CH:28]6[C:40]7([OH:52])[CH2:8][CH2:7][CH:23]([C:20](=[CH:9][C:31](=[O:49])[OH:50])[CH2:16][OH:42])[C:39]7([CH3:4])[CH:30]([OH:48])[CH2:15][C:41]6([OH:53])[C:38]5([CH3:3])[CH:29]([OH:47])[CH2:11]4)[O:57][CH:27]3[CH2:17][OH:43])[CH2:13][C:25]2=[O:45])[O:54]1 |
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