| Properties | Image |
|---|
| MNX_ID | MNXM1178747 |
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| reference | envipathM:...41d10c1fda76 |
| formula | C27H28FNO8 |
| global charge | -2 |
| mol weight | 513.518 |
| InChIKey | GHVGSKZBLPZBDJ-UHFFFAOYSA-L |
| InChI | InChI=1S/C27H30FNO8/c1-27(2,37)25-23(26(35)36)22(19-5-3-4-6-20(19)32)24(15-7-9-16(28)10-8-15)29(25)12-11-17(30)13-18(31)14-21(33)34/h3-10,17-18,30-32,37H,11-14H2,1-2H3,(H,33,34)(H,35,36)/p-2 |
| SMILES | CC(C)(O)C1=C(C(=O)[O-])C(C2=C(O)C=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(O)CC(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H30FNO8/c1-27(2,37)25-23(26(35)36)22(19-5-3-4-6-20(19)32)24(15-7-9-16(28)10-8-15)29(25)12-11-17(30)13-18(31)14-21(33)34/h3-10,17-18,30-32,37H,11-14H2,1-2H3,(H,33,34)(H,35,36)/t17?,18? |
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| SMILES (mnx) | [CH3:1][C:27]([CH3:2])([C:25]1=[C:23]([C:26](=[O:35])[OH:36])[C:22]([C:19]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:20]2[OH:32])=[C:24]([C:15]2=[CH:8][CH:10]=[C:16]([F:28])[CH:9]=[CH:7]2)[N:29]1[CH2:12][CH2:11][CH:17]([CH2:13][CH:18]([CH2:14][C:21](=[O:33])[OH:34])[OH:31])[OH:30])[OH:37] |
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