| Properties | Image |
|---|
| MNX_ID | MNXM1188946 |
 |
| reference | envipathM:...7704ea897f23 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | MALWGOYENKUHLC-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-36(51)27(45)13-34(53-18)58-38-29(47)15-35(56-30(38)17-43)57-37-19(2)54-33(14-28(37)46)55-21-5-7-39(3)23-12-31(48)40(4)22(20(16-42)9-32(49)50)6-8-41(40,52)24(23)11-26(44)25(39)10-21/h9,18-19,21-25,28-31,33-38,42-43,46-48,51-52H,5-8,10-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(=O)CC4C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(51)27(45)13-34(53-18)58-38-29(47)15-35(56-30(38)17-43)57-37-19(2)54-33(14-28(37)46)55-21-5-7-39(3)23-12-31(48)40(4)22(20(16-42)9-32(49)50)6-8-41(40,52)24(23)11-26(44)25(39)10-21/h9,18-19,21-25,28-31,33-38,42-43,46-48,51-52H,5-8,10-17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:51])[C:27](=[O:45])[CH2:13][CH:34]([O:58][CH:38]2[CH:29]([OH:47])[CH2:15][CH:35]([O:57][CH:37]3[CH:19]([CH3:2])[O:54][CH:33]([O:55][CH:21]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:23]6[CH2:12][CH:31]([OH:48])[C:40]7([CH3:4])[CH:22]([C:20](=[CH:9][C:32](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:6][CH2:8][C:41]7([OH:52])[CH:24]6[CH2:11][C:26](=[O:44])[CH:25]5[CH2:10]4)[CH2:14][CH:28]3[OH:46])[O:56][CH:30]2[CH2:17][OH:43])[O:53]1 |
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