| Properties | Image |
|---|
| MNX_ID | MNXM1190913 |
 |
| reference | envipathM:...5b67e991290b |
| formula | C41H65O19 |
| global charge | -1 |
| mol weight | 861.952 |
| InChIKey | NQBUZKKNOVPNNF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O19/c1-16-35(51)23(43)11-32(55-16)60-37-25(45)13-33(58-27(37)15-42)59-36-17(2)56-31(12-24(36)44)57-19-7-18-5-6-21-22(39(18,3)28(47)8-19)10-29(48)40(4)34(26(46)14-41(21,40)54)20(38(52)53)9-30(49)50/h9,16-19,21-29,31-38,42-48,51-54H,5-8,10-15H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])C(O)O)C(O)CC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-16-35(51)23(43)11-32(55-16)60-37-25(45)13-33(58-27(37)15-42)59-36-17(2)56-31(12-24(36)44)57-19-7-18-5-6-21-22(39(18,3)28(47)8-19)10-29(48)40(4)34(26(46)14-41(21,40)54)20(38(52)53)9-30(49)50/h9,16-19,21-29,31-38,42-48,51-54H,5-8,10-15H2,1-4H3,(H,49,50)/b20-9?/t16?,17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:35]([OH:51])[CH:23]([OH:43])[CH2:11][CH:32]([O:60][CH:37]2[CH:25]([OH:45])[CH2:13][CH:33]([O:59][CH:36]3[CH:17]([CH3:2])[O:56][CH:31]([O:57][CH:19]4[CH2:7][CH:18]5[CH2:5][CH2:6][CH:21]6[CH:22]([CH2:10][CH:29]([OH:48])[C:40]7([CH3:4])[CH:34]([C:20](=[CH:9][C:30](=[O:49])[OH:50])[CH:38]([OH:52])[OH:53])[CH:26]([OH:46])[CH2:14][C:41]67[OH:54])[C:39]5([CH3:3])[CH:28]([OH:47])[CH2:8]4)[CH2:12][CH:24]3[OH:44])[O:58][CH:27]2[CH2:15][OH:42])[O:55]1 |
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