| Properties | Image |
|---|
| MNX_ID | MNXM147807 |
 |
| reference | metacycM:CPD-17594 |
| formula | C22H26O7 |
| global charge | 0 |
| mol weight | 402.443 |
| InChIKey | NQDCTUUMEFECTD-JKSUJKDBSA-N |
| InChI | InChI=1S/C22H26O7/c1-25-18-9-13(5-6-17(18)23)7-15-12-29-22(24)16(15)8-14-10-19(26-2)21(28-4)20(11-14)27-3/h5-6,9-11,15-16,23H,7-8,12H2,1-4H3/t15-,16+/m0/s1 |
| SMILES | COC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C22H26O7/c1-25-18-9-13(5-6-17(18)23)7-15-12-29-22(24)16(15)8-14-10-19(26-2)21(28-4)20(11-14)27-3/h5-6,9-11,15-16,23H,7-8,12H2,1-4H3/t15-,16+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:25][C:18]1=[C:17]([OH:23])[CH:6]=[CH:5][C:13]([CH2:7][C@H:15]2[CH2:12][O:29][C:22](=[O:24])[C@@H:16]2[CH2:8][C:14]2=[CH:10][C:19]([O:26][CH3:2])=[C:21]([O:28][CH3:4])[C:20]([O:27][CH3:3])=[CH:11]2)=[CH:9]1 |
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