| Properties | Image |
|---|
| MNX_ID | MNXM1186876 |
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| reference | envipathM:...63333444a836 |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | ZSSWJXMQKQQWKT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-19-35(48)26(43)14-33(52-19)57-37-28(45)16-34(55-29(37)17-42)56-36-20(2)53-32(15-27(36)44)54-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(46)39(4)40(49,9-10-41(24,39)50)22-12-31(47)51-18-22/h19-26,28-30,32-37,42-43,45-46,48-50H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C5COC(=O)C5)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-19-35(48)26(43)14-33(52-19)57-37-28(45)16-34(55-29(37)17-42)56-36-20(2)53-32(15-27(36)44)54-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(46)39(4)40(49,9-10-41(24,39)50)22-12-31(47)51-18-22/h19-26,28-30,32-37,42-43,45-46,48-50H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]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:20]([CH3:2])[O:53][CH:32]([O:54][CH:23]4[CH2:7][CH2:8][C:38]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:24]6[CH:25]5[CH2:13][CH:30]([OH:46])[C:39]5([CH3:4])[C:40]([CH:22]7[CH2:12][C:31](=[O:47])[O:51][CH2:18]7)([OH:49])[CH2:9][CH2:10][C:41]65[OH:50])[CH2:11]4)[CH2:15][C:27]3=[O:44])[O:55][CH:29]2[CH2:17][OH:42])[O:52]1 |
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