| Properties | Image |
MNX_ID | MNXM101103 |
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reference | chebi:70698 |
formula | C19H20O3 |
global charge | 0 |
mol weight | 296.366 |
InChIKey | PDFRZPRYDQDKCQ-HNQUOIGGSA-N |
InChI | InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,21-22H,2,4,7,10H2/b3-1+ |
SMILES | O=C(CC/C=C/C1=CC=C(O)C=C1)CCC1=CC=C(O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,21-22H,2,4,7,10H2/b3-1+ |
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SMILES (mnx) | [CH:1](\[CH2:2][CH2:4][C:17]([CH2:10][CH2:7][C:16]1=[CH:9][CH:14]=[C:19]([OH:22])[CH:13]=[CH:8]1)=[O:20])=[CH:3]/[C:15]1=[CH:6][CH:12]=[C:18]([OH:21])[CH:11]=[CH:5]1 |
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