| Properties | Image |
|---|
| MNX_ID | MNXM1197446 |
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| reference | envipathM:...d2d2dccb3817 |
| formula | C41H61O16 |
| global charge | -1 |
| mol weight | 809.923 |
| InChIKey | JVRPZKNIMVYADD-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O16/c1-19-35(48)28(43)15-32(52-19)56-36-20(2)53-33(16-29(36)44)57-37-21(3)54-34(18-51-38(37)49)55-24-8-10-39(4)23(13-24)6-7-26-27(39)14-30(45)40(5)25(9-11-41(26,40)50)22(17-42)12-31(46)47/h12,19-21,23-28,30,32-37,42-43,45,48,50H,6-11,13-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(=O)OCC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-35(48)28(43)15-32(52-19)56-36-20(2)53-33(16-29(36)44)57-37-21(3)54-34(18-51-38(37)49)55-24-8-10-39(4)23(13-24)6-7-26-27(39)14-30(45)40(5)25(9-11-41(26,40)50)22(17-42)12-31(46)47/h12,19-21,23-28,30,32-37,42-43,45,48,50H,6-11,13-18H2,1-5H3,(H,46,47)/b22-12?/t19?,20?,21?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:48])[CH:28]([OH:43])[CH2:15][CH:32]([O:56][CH:36]2[CH:20]([CH3:2])[O:53][CH:33]([O:57][CH:37]3[CH:21]([CH3:3])[O:54][CH:34]([O:55][CH:24]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:23]([CH2:6][CH2:7][CH:26]6[CH:27]5[CH2:14][CH:30]([OH:45])[C:40]5([CH3:5])[CH:25]([C:22](=[CH:12][C:31](=[O:46])[OH:47])[CH2:17][OH:42])[CH2:9][CH2:11][C:41]65[OH:50])[CH2:13]4)[CH2:18][O:51][C:38]3=[O:49])[CH2:16][C:29]2=[O:44])[O:52]1 |
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