| Properties | Image |
|---|
| MNX_ID | MNXM1198541 |
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| reference | envipathM:...cdd7d02af7e5 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | IQKKVPYDLXVXFL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-35(48)26(43)14-33(51-18)57-37-28(45)16-34(54-29(37)17-42)56-36-19(2)52-32(15-27(36)44)53-21-7-9-39(3)20(11-21)5-6-24-25(39)13-30(46)40(4)23(8-10-41(24,40)50)22-12-31(47)55-38(22)49/h12,17-21,23-29,32-37,43-45,48,50H,5-11,13-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C5(C)C(C7=CC(=O)OC7=O)CCC65O)C4)OC3C)OC2C=O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-35(48)26(43)14-33(51-18)57-37-28(45)16-34(54-29(37)17-42)56-36-19(2)52-32(15-27(36)44)53-21-7-9-39(3)20(11-21)5-6-24-25(39)13-30(46)40(4)23(8-10-41(24,40)50)22-12-31(47)55-38(22)49/h12,17-21,23-29,32-37,43-45,48,50H,5-11,13-16H2,1-4H3/t18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:48])[CH:26]([OH:43])[CH2:14][CH:33]([O:57][CH:37]2[CH:28]([OH:45])[CH2:16][CH:34]([O:56][CH:36]3[CH:19]([CH3:2])[O:52][CH:32]([O:53][CH:21]4[CH2:7][CH2:9][C:39]5([CH3:3])[CH:20]([CH2:5][CH2:6][CH:24]6[CH:25]5[CH2:13][C:30](=[O:46])[C:40]5([CH3:4])[CH:23]([C:22]7=[CH:12][C:31](=[O:47])[O:55][C:38]7=[O:49])[CH2:8][CH2:10][C:41]65[OH:50])[CH2:11]4)[CH2:15][CH:27]3[OH:44])[O:54][CH:29]2[CH:17]=[O:42])[O:51]1 |
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