| Properties | Image |
|---|
| MNX_ID | MNXM1131966 |
 |
| reference | lipidmapsM:LMST01130010 |
| formula | C24H32O5 |
| global charge | 0 |
| mol weight | 400.515 |
| InChIKey | TYWDBJAVSCRBQI-FTXNGJEASA-N |
| InChI | InChI=1S/C24H32O5/c1-22-9-8-20-17(7-11-24(28)12-16(26)6-10-23(20,24)14-25)19(22)4-3-18(22)15-2-5-21(27)29-13-15/h2,4-5,13,16-18,20,25-26,28H,3,6-12,14H2,1H3/t16-,17-,18+,20-,22+,23-,24-/m0/s1 |
| SMILES | C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)C1=CC[C@@H]2C1=COC(=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H32O5/c1-22-9-8-20-17(7-11-24(28)12-16(26)6-10-23(20,24)14-25)19(22)4-3-18(22)15-2-5-21(27)29-13-15/h2,4-5,13,16-18,20,25-26,28H,3,6-12,14H2,1H3/t16-,17-,18+,20-,22+,23-,24-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:22]12[CH2:9][CH2:8][C@H:20]3[C@@H:17]([CH2:7][CH2:11][C@:24]4([OH:28])[CH2:12][C@@H:16]([OH:26])[CH2:6][CH2:10][C@:23]34[CH2:14][OH:25])[C:19]1=[CH:4][CH2:3][C@@H:18]2[C:15]1=[CH:13][O:29][C:21](=[O:27])[CH:5]=[CH:2]1 |
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