| Properties | Image |
|---|
| MNX_ID | MNXM1197066 |
 |
| reference | envipathM:...06767dde5ffb |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | YVMZFRRMJSJCAI-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-19-34(50)24(44)12-32(54-19)59-36-26(46)14-33(57-27(36)18-43)58-35-20(2)55-31(13-25(35)45)56-22-5-8-37(3)39(51,15-22)9-7-28-40(52)10-6-23(21(17-42)11-30(48)49)38(40,4)29(47)16-41(28,37)53/h11,19-20,22-28,31-36,42-46,50-53H,5-10,12-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CCC6C7(O)CCC(C(=CC(=O)[O-])CO)C7(C)C(=O)CC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-34(50)24(44)12-32(54-19)59-36-26(46)14-33(57-27(36)18-43)58-35-20(2)55-31(13-25(35)45)56-22-5-8-37(3)39(51,15-22)9-7-28-40(52)10-6-23(21(17-42)11-30(48)49)38(40,4)29(47)16-41(28,37)53/h11,19-20,22-28,31-36,42-46,50-53H,5-10,12-18H2,1-4H3,(H,48,49)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:50])[CH:24]([OH:44])[CH2:12][CH:32]([O:59][CH:36]2[CH:26]([OH:46])[CH2:14][CH:33]([O:58][CH:35]3[CH:20]([CH3:2])[O:55][CH:31]([O:56][CH:22]4[CH2:5][CH2:8][C:37]5([CH3:3])[C:39]([OH:51])([CH2:9][CH2:7][CH:28]6[C:40]7([OH:52])[CH2:10][CH2:6][CH:23]([C:21](=[CH:11][C:30](=[O:48])[OH:49])[CH2:17][OH:42])[C:38]7([CH3:4])[C:29](=[O:47])[CH2:16][C:41]65[OH:53])[CH2:15]4)[CH2:13][CH:25]3[OH:45])[O:57][CH:27]2[CH2:18][OH:43])[O:54]1 |
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