| Properties | Image |
|---|
| MNX_ID | MNXM1131982 |
 |
| reference | lipidmapsM:LMST01130029 |
| formula | C26H34O7 |
| global charge | 0 |
| mol weight | 458.551 |
| InChIKey | GZNLDYYHFCFJOU-QLKRLITRSA-N |
| InChI | InChI=1S/C26H34O7/c1-13(27)32-22-21(14-4-7-20(30)31-12-14)25(3)19(29)11-18-17(26(25)23(22)33-26)6-5-15-10-16(28)8-9-24(15,18)2/h4,7,12,15-19,21-23,28-29H,5-6,8-11H2,1-3H3/t15-,16+,17-,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2C[C@@H](O)[C@]3(C)[C@H]1C1=COC(=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H34O7/c1-13(27)32-22-21(14-4-7-20(30)31-12-14)25(3)19(29)11-18-17(26(25)23(22)33-26)6-5-15-10-16(28)8-9-24(15,18)2/h4,7,12,15-19,21-23,28-29H,5-6,8-11H2,1-3H3/t15-,16+,17-,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13](=[O:27])[O:32][C@@H:22]1[C@H:21]([C:14]2=[CH:12][O:31][C:20](=[O:30])[CH:7]=[CH:4]2)[C@@:25]2([CH3:3])[C@H:19]([OH:29])[CH2:11][C@H:18]3[C@@H:17]([CH2:6][CH2:5][C@@H:15]4[CH2:10][C@@H:16]([OH:28])[CH2:8][CH2:9][C@@:24]43[CH3:2])[C@@:26]23[C@@H:23]1[O:33]3 |
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