| Properties | Image |
|---|
| MNX_ID | MNXM1179502 |
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| reference | envipathM:...705109029b7f |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | UKXMSVRMDVAMQX-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-18-36(51)26(45)13-33(53-18)58-38-28(47)15-34(56-29(38)17-43)57-37-19(2)54-32(14-27(37)46)55-22-5-7-39(3)21(10-22)11-25(44)35-24(39)12-30(48)40(4)23(6-8-41(35,40)52)20(16-42)9-31(49)50/h18-30,32-35,37-38,42-48,52H,5-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C(CO)CC(=O)[O-])CCC45O)OC3C)OC2CO)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-18-36(51)26(45)13-33(53-18)58-38-28(47)15-34(56-29(38)17-43)57-37-19(2)54-32(14-27(37)46)55-22-5-7-39(3)21(10-22)11-25(44)35-24(39)12-30(48)40(4)23(6-8-41(35,40)52)20(16-42)9-31(49)50/h18-30,32-35,37-38,42-48,52H,5-17H2,1-4H3,(H,49,50)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:36](=[O:51])[CH:26]([OH:45])[CH2:13][CH:33]([O:58][CH:38]2[CH:28]([OH:47])[CH2:15][CH:34]([O:57][CH:37]3[CH:19]([CH3:2])[O:54][CH:32]([O:55][CH:22]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:21]([CH2:10]4)[CH2:11][CH:25]([OH:44])[CH:35]4[CH:24]5[CH2:12][CH:30]([OH:48])[C:40]5([CH3:4])[CH:23]([CH:20]([CH2:9][C:31](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:6][CH2:8][C:41]45[OH:52])[CH2:14][CH:27]3[OH:46])[O:56][CH:29]2[CH2:17][OH:43])[O:53]1 |
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