| Properties | Image |
|---|
| MNX_ID | MNXM11299 |
 |
| reference | metacycM:CPD-9711 |
| formula | C23H24O7 |
| global charge | 0 |
| mol weight | 412.438 |
| InChIKey | MMPZIMLLXOEISC-XXMUNEJQSA-N |
| InChI | InChI=1S/C23H24O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-22,24-25H,1,7,9-10H2,2-3H3/t16-,20-,21+,22+/m1/s1 |
| SMILES | C=C(CO)[C@H]1CC2=C(C=CC3=C2O[C@@H]2COC4=C(C=C(OC)C(OC)=C4)[C@@H]2[C@H]3O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C23H24O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-22,24-25H,1,7,9-10H2,2-3H3/t16-,20-,21+,22+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:11]([CH2:9][OH:24])[C@H:16]1[CH2:7][C:14]2=[C:15]([CH:5]=[CH:4][C:12]3=[C:23]2[O:30][C@@H:20]2[CH2:10][O:28][C:17]4=[CH:8][C:19]([O:27][CH3:3])=[C:18]([O:26][CH3:2])[CH:6]=[C:13]4[C@@H:21]2[C@H:22]3[OH:25])[O:29]1 |
|