| Properties | Image |
|---|
| MNX_ID | MNXM1186111 |
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| reference | envipathM:...6c1d3daa351f |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | GOSOFWONXFDPGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-35(49)25(43)12-33(53-18)58-37-27(45)14-34(56-28(37)16-42)57-36-19(2)54-32(13-26(36)44)55-22-7-8-38(3)20(9-22)5-6-23-24(38)11-29(46)39(4)40(23,50)15-30(47)41(39,51)21-10-31(48)52-17-21/h18-28,30,32-37,42-45,47,49-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C5(C)C6(O)CC(O)C5(O)C5COC(=O)C5)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-35(49)25(43)12-33(53-18)58-37-27(45)14-34(56-28(37)16-42)57-36-19(2)54-32(13-26(36)44)55-22-7-8-38(3)20(9-22)5-6-23-24(38)11-29(46)39(4)40(23,50)15-30(47)41(39,51)21-10-31(48)52-17-21/h18-28,30,32-37,42-45,47,49-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[CH:25]([OH:43])[CH2:12][CH:33]([O:58][CH:37]2[CH:27]([OH:45])[CH2:14][CH:34]([O:57][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:55][CH:22]4[CH2:7][CH2:8][C:38]5([CH3:3])[CH:20]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:11][C:29](=[O:46])[C:39]5([CH3:4])[C:40]6([OH:50])[CH2:15][CH:30]([OH:47])[C:41]5([CH:21]5[CH2:10][C:31](=[O:48])[O:52][CH2:17]5)[OH:51])[CH2:9]4)[CH2:13][CH:26]3[OH:44])[O:56][CH:28]2[CH2:16][OH:42])[O:53]1 |
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