| Properties | Image |
|---|
| MNX_ID | MNXM1176394 |
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| reference | envipathM:...e4df78fb9bc7 |
| formula | C27H26FNO8 |
| global charge | -2 |
| mol weight | 511.502 |
| InChIKey | FZDMPXLDYWLJNE-UHFFFAOYSA-L |
| InChI | InChI=1S/C27H28FNO8/c1-14(2)24-23(27(36)37)22(15-5-9-18(30)10-6-15)25(16-3-7-17(28)8-4-16)29(24)12-11-19(31)26(35)20(32)13-21(33)34/h3-10,14,19-20,30-32H,11-13H2,1-2H3,(H,33,34)(H,36,37)/p-2 |
| SMILES | CC(C)C1=C(C(=O)[O-])C(C2=CC=C(O)C=C2)=C(C2=CC=C(F)C=C2)N1CCC(O)C(=O)C(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H28FNO8/c1-14(2)24-23(27(36)37)22(15-5-9-18(30)10-6-15)25(16-3-7-17(28)8-4-16)29(24)12-11-19(31)26(35)20(32)13-21(33)34/h3-10,14,19-20,30-32H,11-13H2,1-2H3,(H,33,34)(H,36,37)/t19?,20? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[C:24]1=[C:23]([C:27](=[O:36])[OH:37])[C:22]([C:15]2=[CH:6][CH:10]=[C:18]([OH:30])[CH:9]=[CH:5]2)=[C:25]([C:16]2=[CH:4][CH:8]=[C:17]([F:28])[CH:7]=[CH:3]2)[N:29]1[CH2:12][CH2:11][CH:19]([C:26]([CH:20]([CH2:13][C:21](=[O:33])[OH:34])[OH:32])=[O:35])[OH:31] |
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