| Properties | Image |
|---|
| MNX_ID | MNXM1132040 |
 |
| reference | lipidmapsM:LMST02030237 |
| formula | C24H30O7 |
| global charge | 0 |
| mol weight | 430.497 |
| InChIKey | HALZTWVTRWHASW-TTYKLYEPSA-N |
| InChI | InChI=1S/C24H30O7/c1-12-7-15-16-9-18(27)17-8-14(26)5-6-21(17,3)24(16)20(31-24)10-22(15,4)23(12,29)19(28)11-30-13(2)25/h8,12,15-16,20,29H,5-7,9-11H2,1-4H3/t12-,15+,16+,20+,21+,22+,23+,24-/m1/s1 |
| SMILES | CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@]34O[C@H]4C[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C24H30O7/c1-12-7-15-16-9-18(27)17-8-14(26)5-6-21(17,3)24(16)20(31-24)10-22(15,4)23(12,29)19(28)11-30-13(2)25/h8,12,15-16,20,29H,5-7,9-11H2,1-4H3/t12-,15+,16+,20+,21+,22+,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:12]1[CH2:7][C@H:15]2[C@@H:16]3[CH2:9][C:18](=[O:27])[C:17]4=[CH:8][C:14](=[O:26])[CH2:5][CH2:6][C@:21]4([CH3:3])[C@:24]34[C@H:20]([CH2:10][C@:22]2([CH3:4])[C@:23]1([C:19]([CH2:11][O:30][C:13]([CH3:2])=[O:25])=[O:28])[OH:29])[O:31]4 |
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