| Properties | Image |
|---|
| MNX_ID | MNXM159123 |
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| reference | keggD:D05290 |
| formula | C25H25NO6 |
| global charge | 0 |
| mol weight | 435.476 |
| InChIKey | DQHRYCOJUKGIDH-AFZHOHQWSA-N |
| InChI | InChI=1S/C21H21NO2.C4H4O4/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18;5-3(6)1-2-4(7)8/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b17-10+;2-1+ |
| SMILES | CN(C)CC/C=C1\C2=C(C=CC=C2)OCC2=C1OC1=C2C=CC=C1.O=C(O)/C=C/C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H21NO2.C4H4O4/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18;5-3(6)1-2-4(7)8/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b17-10+;2-1+ |
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| SMILES (mnx) | [CH3:1][N:22]([CH3:2])[CH2:13][CH2:7]/[CH:10]=[C:17]1\[C:15]2=[CH:8][CH:3]=[CH:5][CH:11]=[C:19]2[O:23][CH2:14][C:18]2=[C:21]1[O:24][C:20]1=[CH:12][CH:6]=[CH:4][CH:9]=[C:16]21.[CH:25](=[CH:26]/[C:28](=[O:31])[OH:32])\[C:27](=[O:29])[OH:30] |
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