| Properties | Image |
|---|
| MNX_ID | MNXM1132123 |
 |
| reference | lipidmapsM:LMST05050045 |
| formula | C39H64O14 |
| global charge | 0 |
| mol weight | 756.927 |
| InChIKey | HIIDIXVSFQSSFA-WZXKBYHUSA-N |
| InChI | InChI=1S/C39H64O14/c1-18(2)20(16-50-35-32(47)29(44)25(15-40)53-35)8-7-19(3)27-30(45)31(46)34-38(27,5)12-10-26-37(4)11-9-21(13-22(37)23(41)14-39(26,34)48)52-36-33(49-6)28(43)24(42)17-51-36/h7-8,13,18-21,23-36,40-48H,9-12,14-17H2,1-6H3/b8-7+/t19-,20-,21+,23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37+,38-,39+/m1/s1 |
| SMILES | CO[C@H]1[C@H](O[C@@H]2C=C3[C@H](O)C[C@@]4(O)[C@@H]5[C@@H](O)[C@H](O)[C@H]([C@H](C)/C=C/[C@H](CO[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)C)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)OC[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H64O14/c1-18(2)20(16-50-35-32(47)29(44)25(15-40)53-35)8-7-19(3)27-30(45)31(46)34-38(27,5)12-10-26-37(4)11-9-21(13-22(37)23(41)14-39(26,34)48)52-36-33(49-6)28(43)24(42)17-51-36/h7-8,13,18-21,23-36,40-48H,9-12,14-17H2,1-6H3/b8-7+/t19-,20-,21+,23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37+,38-,39+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C@H:20](/[CH:8]=[CH:7]/[C@@H:19]([CH3:3])[C@H:27]1[C@@H:30]([OH:45])[C@H:31]([OH:46])[C@@H:34]2[C@:38]1([CH3:5])[CH2:12][CH2:10][C@@H:26]1[C@@:37]3([CH3:4])[CH2:11][CH2:9][C@H:21]([O:52][C@H:36]4[C@H:33]([O:49][CH3:6])[C@@H:28]([OH:43])[C@H:24]([OH:42])[CH2:17][O:51]4)[CH:13]=[C:22]3[C@H:23]([OH:41])[CH2:14][C@:39]12[OH:48])[CH2:16][O:50][C@H:35]1[C@H:32]([OH:47])[C@@H:29]([OH:44])[C@H:25]([CH2:15][OH:40])[O:53]1 |
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