| Properties | Image |
|---|
| MNX_ID | MNXM1174524 |
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| reference | envipathM:...db6da37c8164 |
| formula | C27H26FNO8 |
| global charge | -2 |
| mol weight | 511.502 |
| InChIKey | ADONOPDGIRRZOE-UHFFFAOYSA-L |
| InChI | InChI=1S/C27H28FNO8/c1-27(37,15-30)25-23(26(35)36)22(16-5-3-2-4-6-16)24(17-7-9-18(28)10-8-17)29(25)12-11-19(31)13-20(32)14-21(33)34/h2-10,20,30,32,37H,11-15H2,1H3,(H,33,34)(H,35,36)/p-2 |
| SMILES | CC(O)(CO)C1=C(C(=O)[O-])C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(=O)CC(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H28FNO8/c1-27(37,15-30)25-23(26(35)36)22(16-5-3-2-4-6-16)24(17-7-9-18(28)10-8-17)29(25)12-11-19(31)13-20(32)14-21(33)34/h2-10,20,30,32,37H,11-15H2,1H3,(H,33,34)(H,35,36)/t20?,27? |
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| SMILES (mnx) | [CH3:1][C:27]([CH2:15][OH:30])([C:25]1=[C:23]([C:26](=[O:35])[OH:36])[C:22]([C:16]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)=[C:24]([C:17]2=[CH:8][CH:10]=[C:18]([F:28])[CH:9]=[CH:7]2)[N:29]1[CH2:12][CH2:11][C:19]([CH2:13][CH:20]([CH2:14][C:21](=[O:33])[OH:34])[OH:32])=[O:31])[OH:37] |
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