| Properties | Image |
|---|
| MNX_ID | MNXM1196263 |
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| reference | envipathM:...e0f55d9bf187 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | DGDOVLPWTPMFMJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-19-34(50)25(44)13-31(54-19)58-35-20(2)55-32(14-26(35)45)59-36-27(46)15-33(57-28(36)18-43)56-22-5-7-37(3)24-12-29(47)38(4)40(52,21(17-42)11-30(48)49)9-10-41(38,53)23(24)6-8-39(37,51)16-22/h11,18-20,22-29,31-36,42,44-47,50-53H,5-10,12-17H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(O)(C(=CC(=O)[O-])CO)CCC7(O)C6CCC5(O)C4)OC3C=O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-34(50)25(44)13-31(54-19)58-35-20(2)55-32(14-26(35)45)59-36-27(46)15-33(57-28(36)18-43)56-22-5-7-37(3)24-12-29(47)38(4)40(52,21(17-42)11-30(48)49)9-10-41(38,53)23(24)6-8-39(37,51)16-22/h11,18-20,22-29,31-36,42,44-47,50-53H,5-10,12-17H2,1-4H3,(H,48,49)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:50])[CH:25]([OH:44])[CH2:13][CH:31]([O:58][CH:35]2[CH:20]([CH3:2])[O:55][CH:32]([O:59][CH:36]3[CH:27]([OH:46])[CH2:15][CH:33]([O:56][CH:22]4[CH2:5][CH2:7][C:37]5([CH3:3])[CH:24]6[CH2:12][CH:29]([OH:47])[C:38]7([CH3:4])[C:40]([C:21](=[CH:11][C:30](=[O:48])[OH:49])[CH2:17][OH:42])([OH:52])[CH2:9][CH2:10][C:41]7([OH:53])[CH:23]6[CH2:6][CH2:8][C:39]5([OH:51])[CH2:16]4)[O:57][CH:28]3[CH:18]=[O:43])[CH2:14][CH:26]2[OH:45])[O:54]1 |
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