| Properties | Image |
|---|
| MNX_ID | MNXM25601 |
 |
| reference | lipidmapsM:LMST01080069 |
| formula | C56H92O28 |
| global charge | 0 |
| mol weight | 1213.324 |
| InChIKey | BYBHDVRWAIHRJO-RLBRCPCPSA-N |
| InChI | InChI=1S/C56H92O28/c1-19-10-33(62)56(74-17-19)20(2)34-29(84-56)13-25-23-12-27(60)26-11-22(6-8-54(26,4)24(23)7-9-55(25,34)5)76-51-43(71)40(68)45(32(16-59)79-51)80-53-48(47(38(66)31(15-58)78-53)82-49-41(69)36(64)28(61)18-73-49)83-52-44(72)46(37(65)30(14-57)77-52)81-50-42(70)39(67)35(63)21(3)75-50/h19-53,57-72H,6-18H2,1-5H3/t19-,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+/m1/s1 |
| SMILES | C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C56H92O28/c1-19-10-33(62)56(74-17-19)20(2)34-29(84-56)13-25-23-12-27(60)26-11-22(6-8-54(26,4)24(23)7-9-55(25,34)5)76-51-43(71)40(68)45(32(16-59)79-51)80-53-48(47(38(66)31(15-58)78-53)82-49-41(69)36(64)28(61)18-73-49)83-52-44(72)46(37(65)30(14-57)77-52)81-50-42(70)39(67)35(63)21(3)75-50/h19-53,57-72H,6-18H2,1-5H3/t19-,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:19]1[CH2:10][C@@H:33]([OH:62])[C@@:56]2([C@@H:20]([CH3:2])[C@H:34]3[C@H:29]([CH2:13][C@H:25]4[C@@H:23]5[CH2:12][C@H:27]([OH:60])[C@H:26]6[CH2:11][C@@H:22]([O:76][C@H:51]7[C@H:43]([OH:71])[C@@H:40]([OH:68])[C@@H:45]([O:80][C@H:53]8[C@H:48]([O:83][C@H:52]9[C@H:44]([OH:72])[C@@H:46]([O:81][C@H:50]%10[C@H:42]([OH:70])[C@H:39]([OH:67])[C@@H:35]([OH:63])[C@H:21]([CH3:3])[O:75]%10)[C@H:37]([OH:65])[C@@H:30]([CH2:14][OH:57])[O:77]9)[C@@H:47]([O:82][C@H:49]9[C@H:41]([OH:69])[C@@H:36]([OH:64])[C@H:28]([OH:61])[CH2:18][O:73]9)[C@H:38]([OH:66])[C@@H:31]([CH2:15][OH:58])[O:78]8)[C@@H:32]([CH2:16][OH:59])[O:79]7)[CH2:6][CH2:8][C@:54]6([CH3:4])[C@H:24]5[CH2:7][CH2:9][C@@:55]43[CH3:5])[O:84]2)[O:74][CH2:17]1 |
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