| Properties | Image |
|---|
| MNX_ID | MNXM1187589 |
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| reference | envipathM:...ac393dcbd605 |
| formula | C27H26FNO8 |
| global charge | -2 |
| mol weight | 511.502 |
| InChIKey | GGUJFUYNFIBQKY-UHFFFAOYSA-L |
| InChI | InChI=1S/C27H28FNO8/c1-14(2)25-24(27(36)37)23(16-5-8-20(32)21(33)11-16)26(15-3-6-17(28)7-4-15)29(25)10-9-18(30)12-19(31)13-22(34)35/h3-8,11,14,19,31-33H,9-10,12-13H2,1-2H3,(H,34,35)(H,36,37)/p-2 |
| SMILES | CC(C)C1=C(C(=O)[O-])C(C2=CC=C(O)C(O)=C2)=C(C2=CC=C(F)C=C2)N1CCC(=O)CC(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H28FNO8/c1-14(2)25-24(27(36)37)23(16-5-8-20(32)21(33)11-16)26(15-3-6-17(28)7-4-15)29(25)10-9-18(30)12-19(31)13-22(34)35/h3-8,11,14,19,31-33H,9-10,12-13H2,1-2H3,(H,34,35)(H,36,37)/t19? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[C:25]1=[C:24]([C:27](=[O:36])[OH:37])[C:23]([C:16]2=[CH:11][C:21]([OH:33])=[C:20]([OH:32])[CH:8]=[CH:5]2)=[C:26]([C:15]2=[CH:4][CH:7]=[C:17]([F:28])[CH:6]=[CH:3]2)[N:29]1[CH2:10][CH2:9][C:18]([CH2:12][CH:19]([CH2:13][C:22](=[O:34])[OH:35])[OH:31])=[O:30] |
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