| Properties | Image |
|---|
| MNX_ID | MNXM1138713 |
 |
| reference | envipathM:...ce6eafc460a1 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | XYDZECSHPMUBPS-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-36(51)25(44)12-33(53-18)58-38-27(46)14-34(56-29(38)17-43)57-37-19(2)54-32(13-26(37)45)55-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(48)40(4)35(20(16-42)9-31(49)50)28(47)15-41(23,40)52/h9,18-19,21-24,26-27,29-30,32-38,42-43,45-46,48,51-52H,5-8,10-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)C(=O)CC65O)C4)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(51)25(44)12-33(53-18)58-38-27(46)14-34(56-29(38)17-43)57-37-19(2)54-32(13-26(37)45)55-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(48)40(4)35(20(16-42)9-31(49)50)28(47)15-41(23,40)52/h9,18-19,21-24,26-27,29-30,32-38,42-43,45-46,48,51-52H,5-8,10-17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,26?,27?,29?,30?,32?,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:25](=[O:44])[CH2:12][CH:33]([O:58][CH:38]2[CH:27]([OH:46])[CH2:14][CH:34]([O:57][CH:37]3[CH:19]([CH3:2])[O:54][CH:32]([O:55][CH:22]4[CH2:7][CH2:8][C:39]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:11][CH:30]([OH:48])[C:40]5([CH3:4])[CH:35]([C:20](=[CH:9][C:31](=[O:49])[OH:50])[CH2:16][OH:42])[C:28](=[O:47])[CH2:15][C:41]65[OH:52])[CH2:10]4)[CH2:13][CH:26]3[OH:45])[O:56][CH:29]2[CH2:17][OH:43])[O:53]1 |
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