| Properties | Image |
|---|
| MNX_ID | MNXM1170285 |
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| reference | envipathM:...f6e583ebf601 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | GRAAEMGQWOIFKF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-34(50)25(43)13-32(54-18)58-36-20(3)56-33(15-27(36)45)59-35-19(2)55-31(14-26(35)44)57-22-6-7-37(4)23-11-28(46)38(5)39(51,21(17-42)10-30(48)49)8-9-40(38,52)24(23)12-29(47)41(37,53)16-22/h10,18-20,22-29,31-33,35-36,42-47,51-53H,6-9,11-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(O)(C(=CC(=O)[O-])CO)CCC7(O)C6CC(O)C5(O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-34(50)25(43)13-32(54-18)58-36-20(3)56-33(15-27(36)45)59-35-19(2)55-31(14-26(35)44)57-22-6-7-37(4)23-11-28(46)38(5)39(51,21(17-42)10-30(48)49)8-9-40(38,52)24(23)12-29(47)41(37,53)16-22/h10,18-20,22-29,31-33,35-36,42-47,51-53H,6-9,11-17H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:34](=[O:50])[CH:25]([OH:43])[CH2:13][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][CH2:7][C:37]5([CH3:4])[CH:23]6[CH2:11][CH:28]([OH:46])[C:38]7([CH3:5])[C:39]([C:21](=[CH:10][C:30](=[O:48])[OH:49])[CH2:17][OH:42])([OH:51])[CH2:8][CH2:9][C:40]7([OH:52])[CH:24]6[CH2:12][CH:29]([OH:47])[C:41]5([OH:53])[CH2:16]4)[CH2:14][CH:26]3[OH:44])[CH2:15][CH:27]2[OH:45])[O:54]1 |
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