| Properties | Image |
|---|
| MNX_ID | MNXM26829 |
 |
| reference | lipidmapsM:LMST01070004 |
| formula | C58H96O26 |
| global charge | 0 |
| mol weight | 1209.38 |
| InChIKey | QOMDDBWJPPDIMF-XEFZBYGMSA-N |
| InChI | InChI=1S/C58H96O26/c1-22(21-74-51-43(68)41(66)38(63)33(19-59)79-51)11-16-58(73-8)23(2)35-32(84-58)18-31-29-10-9-27-17-28(12-14-56(27,6)30(29)13-15-57(31,35)7)78-55-50(83-53-45(70)40(65)37(62)25(4)76-53)47(72)49(34(20-60)80-55)82-54-46(71)42(67)48(26(5)77-54)81-52-44(69)39(64)36(61)24(3)75-52/h9,22-26,28-55,59-72H,10-21H2,1-8H3/t22-,23+,24+,25+,26+,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-/m1/s1 |
| SMILES | CO[C@]1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C58H96O26/c1-22(21-74-51-43(68)41(66)38(63)33(19-59)79-51)11-16-58(73-8)23(2)35-32(84-58)18-31-29-10-9-27-17-28(12-14-56(27,6)30(29)13-15-57(31,35)7)78-55-50(83-53-45(70)40(65)37(62)25(4)76-53)47(72)49(34(20-60)80-55)82-54-46(71)42(67)48(26(5)77-54)81-52-44(69)39(64)36(61)24(3)75-52/h9,22-26,28-55,59-72H,10-21H2,1-8H3/t22-,23+,24+,25+,26+,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-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]([CH2:11][CH2:16][C@:58]1([O:73][CH3:8])[C@@H:23]([CH3:2])[C@H:35]2[C@H:32]([CH2:18][C@H:31]3[C@@H:29]4[CH2:10][CH:9]=[C:27]5[CH2:17][C@@H:28]([O:78][C@H:55]6[C@H:50]([O:83][C@H:53]7[C@H:45]([OH:70])[C@H:40]([OH:65])[C@@H:37]([OH:62])[C@H:25]([CH3:4])[O:76]7)[C@@H:47]([OH:72])[C@H:49]([O:82][C@H:54]7[C@H:46]([OH:71])[C@H:42]([OH:67])[C@@H:48]([O:81][C@H:52]8[C@H:44]([OH:69])[C@H:39]([OH:64])[C@@H:36]([OH:61])[C@H:24]([CH3:3])[O:75]8)[C@H:26]([CH3:5])[O:77]7)[C@@H:34]([CH2:20][OH:60])[O:80]6)[CH2:12][CH2:14][C@:56]5([CH3:6])[C@H:30]4[CH2:13][CH2:15][C@@:57]32[CH3:7])[O:84]1)[CH2:21][O:74][C@H:51]1[C@H:43]([OH:68])[C@@H:41]([OH:66])[C@H:38]([OH:63])[C@@H:33]([CH2:19][OH:59])[O:79]1 |
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