| Properties | Image |
|---|
| MNX_ID | MNXM118863 |
 |
| reference | hmdb:HMDB0033811 |
| formula | C50H80O23 |
| global charge | 0 |
| mol weight | 1049.167 |
| InChIKey | WJBORTPOEMQYQL-UHFFFAOYSA-N |
| InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-39(62)36(59)41(29(15-52)68-45)70-46-40(63)37(60)42(30(16-53)69-46)71-47-43(35(58)34(57)28(14-51)67-47)72-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3 |
| SMILES | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-39(62)36(59)41(29(15-52)68-45)70-46-40(63)37(60)42(30(16-53)69-46)71-47-43(35(58)34(57)28(14-51)67-47)72-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH2:7][CH2:10][C:50]2([CH:20]([CH3:2])[CH:32]3[CH:27]([CH2:12][CH:25]4[CH:23]5[CH2:6][CH2:5][CH:21]6[CH2:11][CH:22]([O:66][CH:45]7[CH:39]([OH:62])[CH:36]([OH:59])[CH:41]([O:70][CH:46]8[CH:40]([OH:63])[CH:37]([OH:60])[CH:42]([O:71][CH:47]9[CH:43]([O:72][CH:44]%10[CH:38]([OH:61])[CH:33]([OH:56])[CH:26]([OH:54])[CH2:18][O:64]%10)[CH:35]([OH:58])[CH:34]([OH:57])[CH:28]([CH2:14][OH:51])[O:67]9)[CH:30]([CH2:16][OH:53])[O:69]8)[CH:29]([CH2:15][OH:52])[O:68]7)[CH2:8][CH2:9][C:48]6([CH3:3])[CH:24]5[CH2:13][C:31](=[O:55])[C:49]43[CH3:4])[O:73]2)[O:65][CH2:17]1 |
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