| Properties | Image |
|---|
| MNX_ID | MNXM12040 |
 |
| reference | chebi:80678 |
| formula | C22H27NO5 |
| global charge | 0 |
| mol weight | 385.46 |
| InChIKey | SXGHNTVPXYHQSN-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H27NO5/c1-23-9-8-13-10-15(25-2)20(24)19-17(13)14(23)7-6-12-11-16(26-3)21(27-4)22(28-5)18(12)19/h10-11,14,24H,6-9H2,1-5H3 |
| SMILES | COC1=CC2=C3C(=C1O)C1=C(C=C(OC)C(OC)=C1OC)CCC3N(C)CC2 |
MNX internals
| InChI (mnx) | InChI=1/C22H27NO5/c1-23-9-8-13-10-15(25-2)20(24)19-17(13)14(23)7-6-12-11-16(26-3)21(27-4)22(28-5)18(12)19/h10-11,14,24H,6-9H2,1-5H3/t14? |
 |
| SMILES (mnx) | [CH3:1][N:23]1[CH2:9][CH2:8][C:13]2=[C:17]3[CH:14]1[CH2:7][CH2:6][C:12]1=[C:18]([C:19]3=[C:20]([OH:24])[C:15]([O:25][CH3:2])=[CH:10]2)[C:22]([O:28][CH3:5])=[C:21]([O:27][CH3:4])[C:16]([O:26][CH3:3])=[CH:11]1 |
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