| Properties | Image |
|---|
| MNX_ID | MNXM1197276 |
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| reference | envipathM:...63fa59ccd15f |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | DVVFXHYLTKZVDE-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-17-34(49)25(42)13-32(54-17)58-36-19(3)56-33(15-27(36)44)59-35-18(2)55-31(14-26(35)43)57-21-8-9-38(4)20(10-21)6-7-22-23(38)11-28(45)39(5)40(22,52)16-29(46)41(39,53)24(37(50)51)12-30(47)48/h12,17-23,26-29,31-37,43-46,49-53H,6-11,13-16H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C6(O)CC(O)C5(O)C(=CC(=O)[O-])C(O)O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-34(49)25(42)13-32(54-17)58-36-19(3)56-33(15-27(36)44)59-35-18(2)55-31(14-26(35)43)57-21-8-9-38(4)20(10-21)6-7-22-23(38)11-28(45)39(5)40(22,52)16-29(46)41(39,53)24(37(50)51)12-30(47)48/h12,17-23,26-29,31-37,43-46,49-53H,6-11,13-16H2,1-5H3,(H,47,48)/b24-12?/t17?,18?,19?,20?,21?,22?,23?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[C:25](=[O:42])[CH2:13][CH:32]([O:58][CH:36]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:21]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:20]([CH2:6][CH2:7][CH:22]6[CH:23]5[CH2:11][CH:28]([OH:45])[C:39]5([CH3:5])[C:40]6([OH:52])[CH2:16][CH:29]([OH:46])[C:41]5([C:24](=[CH:12][C:30](=[O:47])[OH:48])[CH:37]([OH:50])[OH:51])[OH:53])[CH2:10]4)[CH2:14][CH:26]3[OH:43])[CH2:15][CH:27]2[OH:44])[O:54]1 |
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