| Properties | Image |
|---|
| MNX_ID | MNXM1132121 |
 |
| reference | lipidmapsM:LMST05050043 |
| formula | C32H54O10 |
| global charge | 0 |
| mol weight | 598.774 |
| InChIKey | ZRYSASIWKHAITO-SQDPVVMPSA-N |
| InChI | InChI=1S/C32H54O10/c1-16(14-33)6-5-7-17(2)23-25(37)26(38)28-31(23,4)11-9-22-30(3)10-8-18(12-19(30)20(34)13-32(22,28)40)42-29-27(39)24(36)21(35)15-41-29/h12,16-18,20-29,33-40H,5-11,13-15H2,1-4H3/t16-,17+,18-,20+,21+,22+,23-,24-,25+,26-,27+,28+,29-,30-,31+,32-/m0/s1 |
| SMILES | C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C[C@@H](O)C2=C[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C32H54O10/c1-16(14-33)6-5-7-17(2)23-25(37)26(38)28-31(23,4)11-9-22-30(3)10-8-18(12-19(30)20(34)13-32(22,28)40)42-29-27(39)24(36)21(35)15-41-29/h12,16-18,20-29,33-40H,5-11,13-15H2,1-4H3/t16-,17+,18-,20+,21+,22+,23-,24-,25+,26-,27+,28+,29-,30-,31+,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:16]([CH2:6][CH2:5][CH2:7][C@@H:17]([CH3:2])[C@H:23]1[C@@H:25]([OH:37])[C@H:26]([OH:38])[C@@H:28]2[C@:31]1([CH3:4])[CH2:11][CH2:9][C@@H:22]1[C@@:30]3([CH3:3])[CH2:10][CH2:8][C@H:18]([O:42][C@H:29]4[C@H:27]([OH:39])[C@@H:24]([OH:36])[C@H:21]([OH:35])[CH2:15][O:41]4)[CH:12]=[C:19]3[C@H:20]([OH:34])[CH2:13][C@:32]12[OH:40])[CH2:14][OH:33] |
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