| Properties | Image |
|---|
| MNX_ID | MNXM48720 |
 |
| reference | lipidmapsM:LMPK12060014 |
| formula | C23H24O7 |
| global charge | 0 |
| mol weight | 412.438 |
| InChIKey | UJRXJHPYROZVGI-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H24O7/c1-23(2,25)19-8-13-14(29-19)6-5-11-21(24)20-12-7-16(26-3)17(27-4)9-15(12)28-10-18(20)30-22(11)13/h5-7,9,18-20,25H,8,10H2,1-4H3 |
| SMILES | COC1=CC2=C(C=C1OC)C1C(=O)C3=C(OC1CO2)C1=C(C=C3)OC(C(C)(C)O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H24O7/c1-23(2,25)19-8-13-14(29-19)6-5-11-21(24)20-12-7-16(26-3)17(27-4)9-15(12)28-10-18(20)30-22(11)13/h5-7,9,18-20,25H,8,10H2,1-4H3/t18?,19?,20? |
 |
| SMILES (mnx) | [CH3:1][C:23]([CH3:2])([CH:19]1[CH2:8][C:13]2=[C:14]([CH:6]=[CH:5][C:11]3=[C:22]2[O:30][CH:18]2[CH2:10][O:28][C:15]4=[CH:9][C:17]([O:27][CH3:4])=[C:16]([O:26][CH3:3])[CH:7]=[C:12]4[CH:20]2[C:21]3=[O:24])[O:29]1)[OH:25] |
|