| Properties | Image |
MNX_ID | MNXM341011 |
 |
reference | chebi:93000 |
formula | C21H25NO5 |
global charge | 0 |
mol weight | 371.433 |
InChIKey | OUIJROJMBAIVSY-UHFFFAOYSA-N |
InChI | InChI=1S/C21H25NO5/c1-14(23)22-11-9-21(10-12-22,15-7-8-19(26-2)18(25)13-15)16-5-4-6-17(24)20(16)27-3/h4-8,13,24-25H,9-12H2,1-3H3 |
SMILES | COC1=C(O)C=C(C2(C3=C(OC)C(O)=CC=C3)CCN(C(C)=O)CC2)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C21H25NO5/c1-14(23)22-11-9-21(10-12-22,15-7-8-19(26-2)18(25)13-15)16-5-4-6-17(24)20(16)27-3/h4-8,13,24-25H,9-12H2,1-3H3 |
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SMILES (mnx) | [CH3:1][C:14]([N:22]1[CH2:11][CH2:9][C:21]([C:15]2=[CH:13][C:18]([OH:25])=[C:19]([O:26][CH3:2])[CH:8]=[CH:7]2)([C:16]2=[C:20]([O:27][CH3:3])[C:17]([OH:24])=[CH:6][CH:4]=[CH:5]2)[CH2:10][CH2:12]1)=[O:23] |
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