| Properties | Image |
|---|
| MNX_ID | MNXM1132978 |
 |
| reference | metacycM:Gum-Arabic |
| formula | C64H108O54 |
| global charge | 0 |
| mol weight | 1741.514 |
| InChIKey | BCUIYECIZYDLFH-ILWBUWGASA-N |
| InChI | InChI=1S/C64H108O54/c65-1-12-23(73)33(83)39(89)60(103-12)115-53-32(82)22(11-99-55-38(88)34(84)26(76)20(110-55)9-100-57-42(92)49(27(77)15(4-68)102-57)114-59-37(87)25(75)14(3-67)105-59)111-64(46(53)96)118-52-30(80)18(7-71)108-63(45(52)95)117-51-29(79)17(6-70)107-62(44(51)94)116-50-28(78)16(5-69)106-61(43(50)93)113-48-31(81)21(101-54(97)41(48)91)10-98-56-40(90)35(85)47(19(8-72)109-56)112-58-36(86)24(74)13(2-66)104-58/h12-97H,1-11H2/t12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,59+,60?,61+,62+,63+,64?/m1/s1 |
| SMILES | OC[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC[C@H]4OC(O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]8[C@@H](O)[C@H](O)O[C@H](CO[C@@H]9O[C@H](CO)[C@H](O[C@@H]%10O[C@@H](CO)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@@H]8O)[C@@H]7O)[C@@H]6O)[C@@H]5O)[C@H](O)[C@@H](OC5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C64H108O54/c65-1-12-23(73)33(83)39(89)60(103-12)115-53-32(82)22(11-99-55-38(88)34(84)26(76)20(110-55)9-100-57-42(92)49(27(77)15(4-68)102-57)114-59-37(87)25(75)14(3-67)105-59)111-64(46(53)96)118-52-30(80)18(7-71)108-63(45(52)95)117-51-29(79)17(6-70)107-62(44(51)94)116-50-28(78)16(5-69)106-61(43(50)93)113-48-31(81)21(101-54(97)41(48)91)10-98-56-40(90)35(85)47(19(8-72)109-56)112-58-36(86)24(74)13(2-66)104-58/h12-97H,1-11H2/t12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,59+,60?,61+,62+,63+,64?/m1/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:12]1[C@H:23]([OH:73])[C@H:33]([OH:83])[C@@H:39]([OH:89])[CH:60]([O:115][C@H:53]2[C@@H:32]([OH:82])[C@@H:22]([CH2:11][O:99][C@H:55]3[C@H:38]([OH:88])[C@@H:34]([OH:84])[C@@H:26]([OH:76])[C@@H:20]([CH2:9][O:100][C@H:57]4[C@H:42]([OH:92])[C@@H:49]([O:114][C@H:59]5[C@H:37]([OH:87])[C@@H:25]([OH:75])[C@H:14]([CH2:3][OH:67])[O:105]5)[C@@H:27]([OH:77])[C@@H:15]([CH2:4][OH:68])[O:102]4)[O:110]3)[O:111][CH:64]([O:118][C@H:52]3[C@@H:30]([OH:80])[C@@H:18]([CH2:7][OH:71])[O:108][C@@H:63]([O:117][C@H:51]4[C@@H:29]([OH:79])[C@@H:17]([CH2:6][OH:70])[O:107][C@@H:62]([O:116][C@H:50]5[C@@H:28]([OH:78])[C@@H:16]([CH2:5][OH:69])[O:106][C@@H:61]([O:113][C@H:48]6[C@@H:31]([OH:81])[C@@H:21]([CH2:10][O:98][C@H:56]7[C@H:40]([OH:90])[C@@H:35]([OH:85])[C@@H:47]([O:112][C@H:58]8[C@H:36]([OH:86])[C@@H:24]([OH:74])[C@H:13]([CH2:2][OH:66])[O:104]8)[C@@H:19]([CH2:8][OH:72])[O:109]7)[O:101][C@@H:54]([OH:97])[C@@H:41]6[OH:91])[C@@H:43]5[OH:93])[C@@H:44]4[OH:94])[C@@H:45]3[OH:95])[C@@H:46]2[OH:96])[O:103]1)[OH:65] |
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