| Properties | Image |
|---|
| MNX_ID | MNXM1185648 |
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| reference | envipathM:...be54b45ca7ed |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | OJWPCPIRSGPRCF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-34(49)25(43)12-32(54-18)58-36-20(3)56-33(14-27(36)45)59-35-19(2)55-31(13-26(35)44)57-22-6-8-38(4)24(11-22)37(50)53-17-28-40(51)9-7-23(21(16-42)10-30(47)48)39(40,5)29(46)15-41(28,38)52/h10,18-20,22-29,31-36,42-46,49,51-52H,6-9,11-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(=O)OCC4C5(O)CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-34(49)25(43)12-32(54-18)58-36-20(3)56-33(14-27(36)45)59-35-19(2)55-31(13-26(35)44)57-22-6-8-38(4)24(11-22)37(50)53-17-28-40(51)9-7-23(21(16-42)10-30(47)48)39(40,5)29(46)15-41(28,38)52/h10,18-20,22-29,31-36,42-46,49,51-52H,6-9,11-17H2,1-5H3,(H,47,48)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:49])[CH:25]([OH:43])[CH2:12][CH:32]([O:58][CH:36]2[CH:20]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:19]([CH3:2])[O:55][CH:31]([O:57][CH:22]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:24]([CH2:11]4)[C:37](=[O:50])[O:53][CH2:17][CH:28]4[C:40]6([OH:51])[CH2:9][CH2:7][CH:23]([C:21](=[CH:10][C:30](=[O:47])[OH:48])[CH2:16][OH:42])[C:39]6([CH3:5])[CH:29]([OH:46])[CH2:15][C:41]45[OH:52])[CH2:13][CH:26]3[OH:44])[CH2:14][CH:27]2[OH:45])[O:54]1 |
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