| Properties | Image |
|---|
| MNX_ID | MNXM149081 |
 |
| reference | metacycM:CPD-17601 |
| formula | C21H24O6 |
| global charge | 0 |
| mol weight | 372.417 |
| InChIKey | NWFYESYCEQICQP-JKSUJKDBSA-N |
| InChI | InChI=1S/C21H24O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-15(12-27-21(16)23)8-13-4-6-17(22)19(10-13)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 |
| SMILES | COC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(OC)C=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C21H24O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-15(12-27-21(16)23)8-13-4-6-17(22)19(10-13)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:24][C:18]1=[C:20]([O:26][CH3:3])[CH:11]=[C:14]([CH2:9][C@@H:16]2[C@@H:15]([CH2:8][C:13]3=[CH:10][C:19]([O:25][CH3:2])=[C:17]([OH:22])[CH:6]=[CH:4]3)[CH2:12][O:27][C:21]2=[O:23])[CH:5]=[CH:7]1 |
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