| Properties | Image |
MNX_ID | MNXM117701 |
 |
reference | chebi:174742 |
formula | C17H18O4 |
global charge | 0 |
mol weight | 286.327 |
InChIKey | PGNACKMMQGBVTN-SNAWJCMRSA-N |
InChI | InChI=1S/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4+ |
SMILES | COC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(OC)=C1OC |
MNX internals
InChI (mnx) | InChI=1/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4+ |
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SMILES (mnx) | [CH3:1][O:19][C:15]1=[C:17]([O:21][CH3:3])[C:16]([O:20][CH3:2])=[CH:11][C:13](/[CH:5]=[CH:4]/[C:12]2=[CH:7][CH:9]=[C:14]([OH:18])[CH:8]=[CH:6]2)=[CH:10]1 |
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