| Properties | Image |
|---|
| MNX_ID | MNXM1138591 |
 |
| reference | envipathM:...85d8987773ad |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | RMQJQUVDLOMRIP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-17-35(50)25(43)12-32(54-17)58-37-19(3)56-33(14-27(37)45)59-36-18(2)55-31(13-26(36)44)57-22-9-21-16-53-38(51)34-24(39(21,4)28(46)10-22)11-29(47)40(5)23(6-7-41(34,40)52)20(15-42)8-30(48)49/h8,17-19,21-29,31-37,42-47,50,52H,6-7,9-16H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(COC(=O)C6C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-35(50)25(43)12-32(54-17)58-37-19(3)56-33(14-27(37)45)59-36-18(2)55-31(13-26(36)44)57-22-9-21-16-53-38(51)34-24(39(21,4)28(46)10-22)11-29(47)40(5)23(6-7-41(34,40)52)20(15-42)8-30(48)49/h8,17-19,21-29,31-37,42-47,50,52H,6-7,9-16H2,1-5H3,(H,48,49)/b20-8?/t17?,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:17]1[CH:35]([OH:50])[CH:25]([OH:43])[CH2:12][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:22]4[CH2:9][CH:21]5[CH2:16][O:53][C:38](=[O:51])[CH:34]6[CH:24]([CH2:11][CH:29]([OH:47])[C:40]7([CH3:5])[CH:23]([C:20](=[CH:8][C:30](=[O:48])[OH:49])[CH2:15][OH:42])[CH2:6][CH2:7][C:41]67[OH:52])[C:39]5([CH3:4])[CH:28]([OH:46])[CH2:10]4)[CH2:13][CH:26]3[OH:44])[CH2:14][CH:27]2[OH:45])[O:54]1 |
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