| Properties | Image |
|---|
| MNX_ID | MNXM1132011 |
 |
| reference | lipidmapsM:LMST01130061 |
| formula | C27H36O8 |
| global charge | 0 |
| mol weight | 488.577 |
| InChIKey | WPXOXAAJRRGFQT-WRRWTXOWSA-N |
| InChI | InChI=1S/C27H36O8/c1-14(28)24(32)35-17-8-10-25(2)16(12-17)5-6-19-21(25)22(30)23(31)26(3)18(9-11-27(19,26)33)15-4-7-20(29)34-13-15/h4,7,13-14,16-19,21,23,28,31,33H,5-6,8-12H2,1-3H3/t14-,16+,17-,18+,19+,21+,23-,25-,26-,27-/m0/s1 |
| SMILES | C[C@H](O)C(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C(=O)[C@H](O)[C@]2(C)[C@@H](C4=COC(=O)C=C4)CC[C@]32O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H36O8/c1-14(28)24(32)35-17-8-10-25(2)16(12-17)5-6-19-21(25)22(30)23(31)26(3)18(9-11-27(19,26)33)15-4-7-20(29)34-13-15/h4,7,13-14,16-19,21,23,28,31,33H,5-6,8-12H2,1-3H3/t14-,16+,17-,18+,19+,21+,23-,25-,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]([C:24](=[O:32])[O:35][C@H:17]1[CH2:8][CH2:10][C@@:25]2([CH3:2])[C@H:16]([CH2:5][CH2:6][C@@H:19]3[C@@H:21]2[C:22](=[O:30])[C@H:23]([OH:31])[C@:26]2([CH3:3])[C@@H:18]([C:15]4=[CH:13][O:34][C:20](=[O:29])[CH:7]=[CH:4]4)[CH2:9][CH2:11][C@:27]32[OH:33])[CH2:12]1)[OH:28] |
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