| Properties | Image |
|---|
| MNX_ID | MNXM113624 |
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| reference | chebi:70289 |
| formula | C22H25NO5 |
| global charge | 0 |
| mol weight | 383.444 |
| InChIKey | TVSMLVYMTMBUHC-KGPDSPOASA-N |
| InChI | InChI=1S/C22H25NO5/c1-2-15(14-24)7-5-3-4-6-8-19(26)20-21(27)18(23-22(20)28)13-16-9-11-17(25)12-10-16/h3-12,15,18,24-26H,2,13-14H2,1H3,(H,23,28)/b4-3+,7-5+,8-6+,20-19+ |
| SMILES | CCC(/C=C/C=C/C=C/C(O)=C1\C(=O)NC(CC2=CC=C(O)C=C2)C1=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C22H25NO5/c1-2-15(14-24)7-5-3-4-6-8-19(26)20-21(27)18(23-22(20)28)13-16-9-11-17(25)12-10-16/h3-12,15,18,24-26H,2,13-14H2,1H3,(H,23,28)/b4-3+,7-5+,8-6+,20-19+/t15?,18? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH:15](/[CH:7]=[CH:5]/[CH:3]=[CH:4]/[CH:6]=[CH:8]/[C:19](=[C:20]1/[C:21](=[O:27])[CH:18]([CH2:13][C:16]2=[CH:10][CH:12]=[C:17]([OH:25])[CH:11]=[CH:9]2)[N:23]=[C:22]1[OH:28])[OH:26])[CH2:14][OH:24] |
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