| Properties | Image |
|---|
| MNX_ID | MNXM1185198 |
 |
| reference | envipathM:...c7b101f197c6 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | CSBKEFUHNRMYTA-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(51)23(44)11-31(54-18)58-36-19(2)55-32(12-24(36)45)59-37-25(46)13-33(57-27(37)17-43)56-22-6-7-38(3)21(10-22)5-8-40(52)28(38)14-29(48)39(4)34(20(16-42)9-30(49)50)26(47)15-41(39,40)53/h9,18-19,21-28,31-37,42-47,51-53H,5-8,10-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(=O)C5(C)C(C(=CC(=O)[O-])CO)C(O)CC65O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(51)23(44)11-31(54-18)58-36-19(2)55-32(12-24(36)45)59-37-25(46)13-33(57-27(37)17-43)56-22-6-7-38(3)21(10-22)5-8-40(52)28(38)14-29(48)39(4)34(20(16-42)9-30(49)50)26(47)15-41(39,40)53/h9,18-19,21-28,31-37,42-47,51-53H,5-8,10-17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,31?,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:23]([OH:44])[CH2:11][CH:31]([O:58][CH:36]2[CH:19]([CH3:2])[O:55][CH:32]([O:59][CH:37]3[CH:25]([OH:46])[CH2:13][CH:33]([O:56][CH:22]4[CH2:6][CH2:7][C:38]5([CH3:3])[CH:21]([CH2:5][CH2:8][C:40]6([OH:52])[CH:28]5[CH2:14][C:29](=[O:48])[C:39]5([CH3:4])[CH:34]([C:20](=[CH:9][C:30](=[O:49])[OH:50])[CH2:16][OH:42])[CH:26]([OH:47])[CH2:15][C:41]56[OH:53])[CH2:10]4)[O:57][CH:27]3[CH2:17][OH:43])[CH2:12][CH:24]2[OH:45])[O:54]1 |
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