| Properties | Image |
|---|
| MNX_ID | MNXM120175 |
 |
| reference | hmdb:HMDB0031443 |
| formula | C64H106O35 |
| global charge | 0 |
| mol weight | 1435.517 |
| InChIKey | PRHKAXKZWQKOLN-FFYBEAOXSA-N |
| InChI | InChI=1S/C64H106O35/c1-22(21-87-56-47(81)43(77)38(72)31(15-65)89-56)8-11-64(86-5)23(2)37-30(99-64)13-27-25-7-6-24-12-29(28(71)14-63(24,4)26(25)9-10-62(27,37)3)88-57-50(84)46(80)52(36(20-70)94-57)95-61-55(54(42(76)35(19-69)93-61)97-59-49(83)45(79)40(74)33(17-67)91-59)98-60-51(85)53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58/h23-61,65-85H,1,6-21H2,2-5H3/t23-,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?/m0/s1 |
| SMILES | C=C(CCC1(OC)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C64H106O35/c1-22(21-87-56-47(81)43(77)38(72)31(15-65)89-56)8-11-64(86-5)23(2)37-30(99-64)13-27-25-7-6-24-12-29(28(71)14-63(24,4)26(25)9-10-62(27,37)3)88-57-50(84)46(80)52(36(20-70)94-57)95-61-55(54(42(76)35(19-69)93-61)97-59-49(83)45(79)40(74)33(17-67)91-59)98-60-51(85)53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58/h23-61,65-85H,1,6-21H2,2-5H3/t23-,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?/m0/s1 |
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| SMILES (mnx) | [CH2:1]=[C:22]([CH2:8][CH2:11][C:64]1([O:86][CH3:5])[C@@H:23]([CH3:2])[C@H:37]2[C@H:30]([CH2:13][C@H:27]3[C@@H:25]4[CH2:7][CH2:6][C@H:24]5[CH2:12][C@@H:29]([O:88][C@H:57]6[C@H:50]([OH:84])[C@@H:46]([OH:80])[C@@H:52]([O:95][C@H:61]7[C@H:55]([O:98][C@H:60]8[C@H:51]([OH:85])[C@@H:53]([O:96][C@H:58]9[C@H:48]([OH:82])[C@@H:44]([OH:78])[C@H:39]([OH:73])[C@@H:32]([CH2:16][OH:66])[O:90]9)[C@H:41]([OH:75])[C@@H:34]([CH2:18][OH:68])[O:92]8)[C@@H:54]([O:97][C@H:59]8[C@H:49]([OH:83])[C@@H:45]([OH:79])[C@H:40]([OH:74])[C@@H:33]([CH2:17][OH:67])[O:91]8)[C@H:42]([OH:76])[C@@H:35]([CH2:19][OH:69])[O:93]7)[C@@H:36]([CH2:20][OH:70])[O:94]6)[C@H:28]([OH:71])[CH2:14][C@:63]5([CH3:4])[C@H:26]4[CH2:9][CH2:10][C@@:62]32[CH3:3])[O:99]1)[CH2:21][O:87][C@H:56]1[C@H:47]([OH:81])[C@@H:43]([OH:77])[C@H:38]([OH:72])[C@@H:31]([CH2:15][OH:65])[O:89]1 |
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