| Properties | Image |
|---|
| MNX_ID | MNXM1173228 |
 |
| reference | envipathM:...61a0ef5d6cbd |
| formula | C27H30FN2O8 |
| global charge | -1 |
| mol weight | 529.541 |
| InChIKey | QETHFQQVEMRINR-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H31FN2O8/c1-14(13-31)24-23(27(29)38)22(17-4-2-3-5-18(17)32)25(15-6-8-16(28)9-7-15)30(24)11-10-19(33)26(37)20(34)12-21(35)36/h2-9,14,19-20,26,31-34,37H,10-13H2,1H3,(H2,29,38)(H,35,36)/p-1 |
| SMILES | CC(CO)C1=C(C(N)=O)C(C2=C(O)C=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(O)C(O)C(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H31FN2O8/c1-14(13-31)24-23(27(29)38)22(17-4-2-3-5-18(17)32)25(15-6-8-16(28)9-7-15)30(24)11-10-19(33)26(37)20(34)12-21(35)36/h2-9,14,19-20,26,31-34,37H,10-13H2,1H3,(H2,29,38)(H,35,36)/t14?,19?,20?,26? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH2:13][OH:31])[C:24]1=[C:23]([C:27](=[NH:29])[OH:38])[C:22]([C:17]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:18]2[OH:32])=[C:25]([C:15]2=[CH:7][CH:9]=[C:16]([F:28])[CH:8]=[CH:6]2)[N:30]1[CH2:11][CH2:10][CH:19]([CH:26]([CH:20]([CH2:12][C:21](=[O:35])[OH:36])[OH:34])[OH:37])[OH:33] |
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