| Properties | Image |
|---|
| MNX_ID | MNXM1196733 |
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| reference | envipathM:...1f5d30ebabfb |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | JRQIRXPOSCLCNP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-17-35(51)24(44)11-32(54-17)58-37-19(3)56-33(13-26(37)46)59-36-18(2)55-31(12-25(36)45)57-21-6-7-38(4)22(9-21)23(43)10-28-40(38,52)15-29(48)39(5)34(20(16-42)8-30(49)50)27(47)14-41(28,39)53/h8,17-19,21-29,31-37,42-48,51-53H,6-7,9-16H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5(O)CC(O)C5(C)C(C(=CC(=O)[O-])CO)C(O)CC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-17-35(51)24(44)11-32(54-17)58-37-19(3)56-33(13-26(37)46)59-36-18(2)55-31(12-25(36)45)57-21-6-7-38(4)22(9-21)23(43)10-28-40(38,52)15-29(48)39(5)34(20(16-42)8-30(49)50)27(47)14-41(28,39)53/h8,17-19,21-29,31-37,42-48,51-53H,6-7,9-16H2,1-5H3,(H,49,50)/b20-8?/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:51])[CH:24]([OH:44])[CH2:11][CH:32]([O:58][CH:37]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:36]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:21]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:22]([CH2:9]4)[CH:23]([OH:43])[CH2:10][CH:28]4[C:40]5([OH:52])[CH2:15][CH:29]([OH:48])[C:39]5([CH3:5])[CH:34]([C:20](=[CH:8][C:30](=[O:49])[OH:50])[CH2:16][OH:42])[CH:27]([OH:47])[CH2:14][C:41]45[OH:53])[CH2:12][CH:25]3[OH:45])[CH2:13][CH:26]2[OH:46])[O:54]1 |
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