| Properties | Image |
|---|
| MNX_ID | MNXM1132014 |
 |
| reference | lipidmapsM:LMST01130064 |
| formula | C25H30O8 |
| global charge | 0 |
| mol weight | 458.507 |
| InChIKey | UKXMUDIZBSVEME-JVDUOENTSA-N |
| InChI | InChI=1S/C25H30O8/c1-12(26)32-21-20(13-3-4-19(29)31-11-13)23(2)7-6-15-16(25(23)22(21)33-25)10-17-18(28)9-14(27)5-8-24(15,17)30/h3-4,11,14-17,20-22,27,30H,5-10H2,1-2H3/t14-,15-,16+,17+,20-,21+,22+,23+,24-,25+/m0/s1 |
| SMILES | CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2C[C@@H]4C(=O)C[C@@H](O)CC[C@]4(O)[C@H]2CC[C@]3(C)[C@H]1C1=COC(=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H30O8/c1-12(26)32-21-20(13-3-4-19(29)31-11-13)23(2)7-6-15-16(25(23)22(21)33-25)10-17-18(28)9-14(27)5-8-24(15,17)30/h3-4,11,14-17,20-22,27,30H,5-10H2,1-2H3/t14-,15-,16+,17+,20-,21+,22+,23+,24-,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12](=[O:26])[O:32][C@@H:21]1[C@H:20]([C:13]2=[CH:11][O:31][C:19](=[O:29])[CH:4]=[CH:3]2)[C@@:23]2([CH3:2])[CH2:7][CH2:6][C@H:15]3[C@@H:16]([CH2:10][C@@H:17]4[C:18](=[O:28])[CH2:9][C@@H:14]([OH:27])[CH2:5][CH2:8][C@:24]34[OH:30])[C@@:25]23[C@@H:22]1[O:33]3 |
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