| Properties | Image |
|---|
| MNX_ID | MNXM1190780 |
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| reference | envipathM:...a98be89e516a |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | WNRFSPXACZGJIP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-19-35(51)24(45)12-32(54-19)58-36-26(47)14-34(57-28(36)18-44)59-37-25(46)13-33(56-27(37)17-43)55-22-5-7-38(2)21(11-22)4-8-40(52)29(38)15-30(48)39(3)23(6-9-41(39,40)53)20(16-42)10-31(49)50/h10,17,19,21-30,32-37,42,44-48,51-53H,4-9,11-16,18H2,1-3H3,(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)CCC65O)C4)OC3C=O)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-35(51)24(45)12-32(54-19)58-36-26(47)14-34(57-28(36)18-44)59-37-25(46)13-33(56-27(37)17-43)55-22-5-7-38(2)21(11-22)4-8-40(52)29(38)15-30(48)39(3)23(6-9-41(39,40)53)20(16-42)10-31(49)50/h10,17,19,21-30,32-37,42,44-48,51-53H,4-9,11-16,18H2,1-3H3,(H,49,50)/b20-10?/t19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:51])[CH:24]([OH:45])[CH2:12][CH:32]([O:58][CH:36]2[CH:26]([OH:47])[CH2:14][CH:34]([O:59][CH:37]3[CH:25]([OH:46])[CH2:13][CH:33]([O:55][CH:22]4[CH2:5][CH2:7][C:38]5([CH3:2])[CH:21]([CH2:4][CH2:8][C:40]6([OH:52])[CH:29]5[CH2:15][CH:30]([OH:48])[C:39]5([CH3:3])[CH:23]([C:20](=[CH:10][C:31](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:6][CH2:9][C:41]56[OH:53])[CH2:11]4)[O:56][CH:27]3[CH:17]=[O:43])[O:57][CH:28]2[CH2:18][OH:44])[O:54]1 |
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