| Properties | Image |
|---|
| MNX_ID | MNXM1171581 |
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| reference | envipathM:...00a3e71c787d |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | AGQWAUXGCGBIIZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-19-36(58-34-14-26(47)37(28(18-44)57-34)59-33-12-24(45)35(51)27(17-43)56-33)25(46)13-32(54-19)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(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C(=CC(=O)[O-])CO)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-36(58-34-14-26(47)37(28(18-44)57-34)59-33-12-24(45)35(51)27(17-43)56-33)25(46)13-32(54-19)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:36]([O:58][CH:34]2[CH2:14][CH:26]([OH:47])[CH:37]([O:59][CH:33]3[CH2:12][CH:24]([OH:45])[CH:35]([OH:51])[CH:27]([CH:17]=[O:43])[O:56]3)[CH:28]([CH2:18][OH:44])[O:57]2)[CH:25]([OH:46])[CH2:13][CH:32]([O:55][CH:22]2[CH2:5][CH2:7][C:38]3([CH3:2])[CH:21]([CH2:4][CH2:8][C:40]4([OH:52])[CH:29]3[CH2:15][CH:30]([OH:48])[C:39]3([CH3:3])[CH:23]([C:20](=[CH:10][C:31](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:6][CH2:9][C:41]34[OH:53])[CH2:11]2)[O:54]1 |
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