| Properties | Image |
|---|
| MNX_ID | MNXM1191649 |
 |
| reference | envipathM:...b7bc75e6b811 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | IKEPJQBNLUEZSU-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-36(58-33-14-27(46)37(19(2)55-33)59-34-12-25(44)35(51)28(17-43)57-34)26(45)13-32(54-18)56-22-7-8-38(3)20(9-22)5-6-23-24(38)11-29(47)39(4)40(23,52)15-30(48)41(39,53)21(16-42)10-31(49)50/h10,16,18-20,22-30,32-37,43-48,51-53H,5-9,11-15,17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C4(O)CC(O)C3(O)C(C=O)=CC(=O)[O-])C2)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(58-33-14-27(46)37(19(2)55-33)59-34-12-25(44)35(51)28(17-43)57-34)26(45)13-32(54-18)56-22-7-8-38(3)20(9-22)5-6-23-24(38)11-29(47)39(4)40(23,52)15-30(48)41(39,53)21(16-42)10-31(49)50/h10,16,18-20,22-30,32-37,43-48,51-53H,5-9,11-15,17H2,1-4H3,(H,49,50)/b21-10?/t18?,19?,20?,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:18]1[CH:36]([O:58][CH:33]2[CH2:14][CH:27]([OH:46])[CH:37]([O:59][CH:34]3[CH2:12][CH:25]([OH:44])[CH:35]([OH:51])[CH:28]([CH2:17][OH:43])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:26]([OH:45])[CH2:13][CH:32]([O:56][CH:22]2[CH2:7][CH2:8][C:38]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:23]4[CH:24]3[CH2:11][CH:29]([OH:47])[C:39]3([CH3:4])[C:40]4([OH:52])[CH2:15][CH:30]([OH:48])[C:41]3([C:21](=[CH:10][C:31](=[O:49])[OH:50])[CH:16]=[O:42])[OH:53])[CH2:9]2)[O:54]1 |
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