| Properties | Image |
|---|
| MNX_ID | MNXM1197808 |
 |
| reference | envipathM:...4a7e46bf575f |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | FFBJTZRJXVGJNP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-18-35(51)24(44)12-33(54-18)59-37-26(46)14-34(57-27(37)16-42)58-36-19(2)55-32(13-25(36)45)56-21-9-20-5-6-22-23(38(20,3)29(47)10-21)11-30(48)39(4)28(7-8-41(22,39)53)40(52,17-43)15-31(49)50/h18-29,32-37,42-47,51-53H,5-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5CC(=O)C5(C)C(C(O)(CO)CC(=O)[O-])CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-35(51)24(44)12-33(54-18)59-37-26(46)14-34(57-27(37)16-42)58-36-19(2)55-32(13-25(36)45)56-21-9-20-5-6-22-23(38(20,3)29(47)10-21)11-30(48)39(4)28(7-8-41(22,39)53)40(52,17-43)15-31(49)50/h18-29,32-37,42-47,51-53H,5-17H2,1-4H3,(H,49,50)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:51])[CH:24]([OH:44])[CH2:12][CH:33]([O:59][CH:37]2[CH:26]([OH:46])[CH2:14][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:55][CH:32]([O:56][CH:21]4[CH2:9][CH:20]5[CH2:5][CH2:6][CH:22]6[CH:23]([CH2:11][C:30](=[O:48])[C:39]7([CH3:4])[CH:28]([C:40]([CH2:15][C:31](=[O:49])[OH:50])([CH2:17][OH:43])[OH:52])[CH2:7][CH2:8][C:41]67[OH:53])[C:38]5([CH3:3])[CH:29]([OH:47])[CH2:10]4)[CH2:13][CH:25]3[OH:45])[O:57][CH:27]2[CH2:16][OH:42])[O:54]1 |
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