| Properties | Image |
|---|
| MNX_ID | MNXM1191581 |
 |
| reference | envipathM:...47838068a75a |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | JJKHHIMEDPWQBP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-35(49)26(43)14-33(52-19)58-37-21(3)54-34(16-31(48)56-37)57-36-20(2)53-32(15-27(36)44)55-24-8-10-38(4)23(13-24)6-7-28-40(50)11-9-25(22(18-42)12-30(46)47)39(40,5)29(45)17-41(28,38)51/h12,19-21,23-29,32-34,36-37,42-45,50-51H,6-11,13-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2OC(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-35(49)26(43)14-33(52-19)58-37-21(3)54-34(16-31(48)56-37)57-36-20(2)53-32(15-27(36)44)55-24-8-10-38(4)23(13-24)6-7-28-40(50)11-9-25(22(18-42)12-30(46)47)39(40,5)29(45)17-41(28,38)51/h12,19-21,23-29,32-34,36-37,42-45,50-51H,6-11,13-18H2,1-5H3,(H,46,47)/b22-12?/t19?,20?,21?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[C:35](=[O:49])[CH:26]([OH:43])[CH2:14][CH:33]([O:58][CH:37]2[CH:21]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:55][CH:24]4[CH2:8][CH2:10][C:38]5([CH3:4])[CH:23]([CH2:6][CH2:7][CH:28]6[C:40]7([OH:50])[CH2:11][CH2:9][CH:25]([C:22](=[CH:12][C:30](=[O:46])[OH:47])[CH2:18][OH:42])[C:39]7([CH3:5])[CH:29]([OH:45])[CH2:17][C:41]65[OH:51])[CH2:13]4)[CH2:15][CH:27]3[OH:44])[CH2:16][C:31](=[O:48])[O:56]2)[O:52]1 |
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