| Properties | Image |
|---|
| MNX_ID | MNXM1172509 |
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| reference | envipathM:...87541ee90d06 |
| formula | C41H64O18 |
| global charge | -2 |
| mol weight | 844.945 |
| InChIKey | VUIAEMGHUSFEHG-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H66O18/c1-18-34(48)26(43)14-31(54-18)58-37-20(3)56-32(16-28(37)45)59-36-19(2)55-30(15-27(36)44)57-23-8-10-39(4)22(13-23)6-7-25(33(39)35(49)38(50)51)41(53)11-9-24(40(41,5)52)21(17-42)12-29(46)47/h12,18-20,22-28,30-37,42-45,48-49,52-53H,6-11,13-17H2,1-5H3,(H,46,47)(H,50,51)/p-2 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC(C6(O)CCC(C(=CC(=O)[O-])CO)C6(C)O)C5C(O)C(=O)[O-])C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-34(48)26(43)14-31(54-18)58-37-20(3)56-32(16-28(37)45)59-36-19(2)55-30(15-27(36)44)57-23-8-10-39(4)22(13-23)6-7-25(33(39)35(49)38(50)51)41(53)11-9-24(40(41,5)52)21(17-42)12-29(46)47/h12,18-20,22-28,30-37,42-45,48-49,52-53H,6-11,13-17H2,1-5H3,(H,46,47)(H,50,51)/b21-12?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:26]([OH:43])[CH2:14][CH:31]([O:58][CH:37]2[CH:20]([CH3:3])[O:56][CH:32]([O:59][CH:36]3[CH:19]([CH3:2])[O:55][CH:30]([O:57][CH:23]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:25]([C:41]6([OH:53])[CH2:11][CH2:9][CH:24]([C:21](=[CH:12][C:29](=[O:46])[OH:47])[CH2:17][OH:42])[C:40]6([CH3:5])[OH:52])[CH:33]5[CH:35]([C:38](=[O:50])[OH:51])[OH:49])[CH2:13]4)[CH2:15][CH:27]3[OH:44])[CH2:16][CH:28]2[OH:45])[O:54]1 |
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