| Properties | Image |
| MNX_ID | MNXM151069 |
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| reference | chebi:82647 |
| formula | C18H23NO3 |
| global charge | 0 |
| mol weight | 301.386 |
| InChIKey | YJQZYXCXBBCEAQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3 |
| SMILES | CC(CCC1=CC=C(O)C=C1)NCC(O)C1=CC=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3/t13?,18? |
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| SMILES (mnx) | [CH3:1][CH:13]([CH2:2][CH2:3][C:14]1=[CH:5][CH:9]=[C:16]([OH:20])[CH:8]=[CH:4]1)[NH:19][CH2:12][CH:18]([C:15]1=[CH:7][CH:11]=[C:17]([OH:21])[CH:10]=[CH:6]1)[OH:22] |
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