| Properties | Image |
|---|
| MNX_ID | MNXM108675 |
 |
| reference | chebi:66154 |
| formula | C20H14O5 |
| global charge | 0 |
| mol weight | 334.327 |
| InChIKey | ZWSRRRRYHMMHQC-MDOCMBDYSA-N |
| InChI | InChI=1S/C20H14O5/c21-16-12-1-3-18-6-10-5-13-17(22)24-9-20(13,18)19(18,7-10)14(12)15(25-16)11-2-4-23-8-11/h1-5,8,10,15H,6-7,9H2/t10-,15+,18+,19+,20+/m0/s1 |
| SMILES | O=C1OC[C@@]23C1=C[C@H]1C[C@@]24C=CC2=C([C@@H](C5=COC=C5)OC2=O)[C@]43C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H14O5/c21-16-12-1-3-18-6-10-5-13-17(22)24-9-20(13,18)19(18,7-10)14(12)15(25-16)11-2-4-23-8-11/h1-5,8,10,15H,6-7,9H2/t10-,15+,18+,19+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C@:18]23[CH2:6][C@@H:10]4[CH:5]=[C:13]5[C:17](=[O:22])[O:24][CH2:9][C@@:20]52[C@:19]3([CH2:7]4)[C:14]2=[C:12]1[C:16](=[O:21])[O:25][C@@H:15]2[C:11]1=[CH:8][O:23][CH:4]=[CH:2]1 |
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