| Properties | Image |
|---|
| MNX_ID | MNXM1197379 |
 |
| reference | envipathM:...260aa929c7ab |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | LIDUBXRQAYDCCI-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-19-36(57-33-16-28(46)37(20(2)54-33)58-34-14-26(44)35(50)29(18-43)56-34)27(45)15-32(53-19)55-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(47)39(4)40(51,9-10-41(24,39)52)22(17-42)12-31(48)49/h12,19-21,23-25,27-30,32-37,42-43,45-47,50-52H,5-11,13-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C(=CC(=O)[O-])CO)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-36(57-33-16-28(46)37(20(2)54-33)58-34-14-26(44)35(50)29(18-43)56-34)27(45)15-32(53-19)55-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(47)39(4)40(51,9-10-41(24,39)52)22(17-42)12-31(48)49/h12,19-21,23-25,27-30,32-37,42-43,45-47,50-52H,5-11,13-18H2,1-4H3,(H,48,49)/b22-12?/t19?,20?,21?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:57][CH:33]2[CH2:16][CH:28]([OH:46])[CH:37]([O:58][CH:34]3[CH2:14][C:26](=[O:44])[CH:35]([OH:50])[CH:29]([CH2:18][OH:43])[O:56]3)[CH:20]([CH3:2])[O:54]2)[CH:27]([OH:45])[CH2:15][CH:32]([O:55][CH:23]2[CH2:7][CH2:8][C:38]3([CH3:3])[CH:21]([CH2:5][CH2:6][CH:24]4[CH:25]3[CH2:13][CH:30]([OH:47])[C:39]3([CH3:4])[C:40]([C:22](=[CH:12][C:31](=[O:48])[OH:49])[CH2:17][OH:42])([OH:51])[CH2:9][CH2:10][C:41]43[OH:52])[CH2:11]2)[O:53]1 |
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