| Properties | Image |
|---|
| MNX_ID | MNXM1187442 |
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| reference | envipathM:...75663f4daf1c |
| formula | C41H59O17 |
| global charge | -1 |
| mol weight | 823.906 |
| InChIKey | MXMOVMSUZAVGND-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H60O17/c1-17-34(48)25(43)13-30(53-17)56-35-18(2)54-31(14-26(35)44)57-36-27(45)15-32(58-37(36)38(49)50)55-21-5-7-39(3)20(10-21)11-24(42)33-23(39)12-28(46)40(4)22(6-8-41(33,40)51)19-9-29(47)52-16-19/h9,17-18,20-24,26-28,30-37,42,44-46,48,51H,5-8,10-16H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6=CC(=O)OC6)CCC45O)OC3C(=O)[O-])OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-34(48)25(43)13-30(53-17)56-35-18(2)54-31(14-26(35)44)57-36-27(45)15-32(58-37(36)38(49)50)55-21-5-7-39(3)20(10-21)11-24(42)33-23(39)12-28(46)40(4)22(6-8-41(33,40)51)19-9-29(47)52-16-19/h9,17-18,20-24,26-28,30-37,42,44-46,48,51H,5-8,10-16H2,1-4H3,(H,49,50)/t17?,18?,20?,21?,22?,23?,24?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[C:25](=[O:43])[CH2:13][CH:30]([O:56][CH:35]2[CH:18]([CH3:2])[O:54][CH:31]([O:57][CH:36]3[CH:27]([OH:45])[CH2:15][CH:32]([O:55][CH:21]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:20]([CH2:10]4)[CH2:11][CH:24]([OH:42])[CH:33]4[CH:23]5[CH2:12][CH:28]([OH:46])[C:40]5([CH3:4])[CH:22]([C:19]6=[CH:9][C:29](=[O:47])[O:52][CH2:16]6)[CH2:6][CH2:8][C:41]45[OH:51])[O:58][CH:37]3[C:38](=[O:49])[OH:50])[CH2:14][CH:26]2[OH:44])[O:53]1 |
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