| Properties | Image |
|---|
| MNX_ID | MNXM1185030 |
 |
| reference | envipathM:...17b9133dbd4b |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | RVENSORFNCJJKL-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-16-36(52)25(44)11-33(54-16)58-38-18(3)56-34(13-27(38)46)59-37-17(2)55-32(12-26(37)45)57-20-7-23-24(43)9-22-21(39(23,4)29(48)8-20)10-30(49)40(5)35(19(15-42)6-31(50)51)28(47)14-41(22,40)53/h6,16-18,20-29,32-38,42-48,52-53H,7-15H2,1-5H3,(H,50,51)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)C(O)CC4C5CC(=O)C5(C)C(C(=CC(=O)[O-])CO)C(O)CC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-16-36(52)25(44)11-33(54-16)58-38-18(3)56-34(13-27(38)46)59-37-17(2)55-32(12-26(37)45)57-20-7-23-24(43)9-22-21(39(23,4)29(48)8-20)10-30(49)40(5)35(19(15-42)6-31(50)51)28(47)14-41(22,40)53/h6,16-18,20-29,32-38,42-48,52-53H,7-15H2,1-5H3,(H,50,51)/b19-6?/t16?,17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:36]([OH:52])[CH:25]([OH:44])[CH2:11][CH:33]([O:58][CH:38]2[CH:18]([CH3:3])[O:56][CH:34]([O:59][CH:37]3[CH:17]([CH3:2])[O:55][CH:32]([O:57][CH:20]4[CH2:7][CH:23]5[CH:24]([OH:43])[CH2:9][CH:22]6[CH:21]([CH2:10][C:30](=[O:49])[C:40]7([CH3:5])[CH:35]([C:19](=[CH:6][C:31](=[O:50])[OH:51])[CH2:15][OH:42])[CH:28]([OH:47])[CH2:14][C:41]67[OH:53])[C:39]5([CH3:4])[CH:29]([OH:48])[CH2:8]4)[CH2:12][CH:26]3[OH:45])[CH2:13][CH:27]2[OH:46])[O:54]1 |
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