| Properties | Image |
|---|
| MNX_ID | MNXM1184064 |
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| reference | envipathM:...530b180443d3 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | OQQUVBLMEQKODB-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-36(58-33-15-28(47)37(19(2)55-33)59-34-13-26(45)35(51)29(17-43)57-34)27(46)14-32(54-18)56-21-5-6-38(3)22-12-30(48)39(4)40(52,20(16-42)9-31(49)50)7-8-41(39,53)23(22)11-25(44)24(38)10-21/h9,18-19,21-25,27-30,32-37,42-44,46-48,51-53H,5-8,10-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(O)(C(=CC(=O)[O-])CO)CCC23O)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-36(58-33-15-28(47)37(19(2)55-33)59-34-13-26(45)35(51)29(17-43)57-34)27(46)14-32(54-18)56-21-5-6-38(3)22-12-30(48)39(4)40(52,20(16-42)9-31(49)50)7-8-41(39,53)23(22)11-25(44)24(38)10-21/h9,18-19,21-25,27-30,32-37,42-44,46-48,51-53H,5-8,10-17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,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:36]([O:58][CH:33]2[CH2:15][CH:28]([OH:47])[CH:37]([O:59][CH:34]3[CH2:13][C:26](=[O:45])[CH:35]([OH:51])[CH:29]([CH2:17][OH:43])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:27]([OH:46])[CH2:14][CH:32]([O:56][CH:21]2[CH2:5][CH2:6][C:38]3([CH3:3])[CH:22]4[CH2:12][CH:30]([OH:48])[C:39]5([CH3:4])[C:40]([C:20](=[CH:9][C:31](=[O:49])[OH:50])[CH2:16][OH:42])([OH:52])[CH2:7][CH2:8][C:41]5([OH:53])[CH:23]4[CH2:11][CH:25]([OH:44])[CH:24]3[CH2:10]2)[O:54]1 |
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