| Properties | Image |
|---|
| MNX_ID | MNXM1189167 |
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| reference | envipathM:...681a9a8e3d74 |
| formula | C28H22NO11 |
| global charge | -3 |
| mol weight | 548.48 |
| InChIKey | YIMCGERSNWQACX-UHFFFAOYSA-K |
| InChI | InChI=1S/C28H25NO11/c1-14-6-17(7-15(24(14)35)10-29(11-22(31)32)12-23(33)34)28(21-5-3-2-4-19(21)27(39)40-28)18-8-16(13-30)25(36)20(9-18)26(37)38/h2-9,30,35-36H,10-13H2,1H3,(H,31,32)(H,33,34)(H,37,38)/p-3 |
| SMILES | CC1=C(O)C(CN(CC(=O)[O-])CC(=O)[O-])=CC(C2(C3=CC(CO)=C(O)C(C(=O)[O-])=C3)OC(=O)C3=CC=CC=C32)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H25NO11/c1-14-6-17(7-15(24(14)35)10-29(11-22(31)32)12-23(33)34)28(21-5-3-2-4-19(21)27(39)40-28)18-8-16(13-30)25(36)20(9-18)26(37)38/h2-9,30,35-36H,10-13H2,1H3,(H,31,32)(H,33,34)(H,37,38)/t28? |
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| SMILES (mnx) | [CH3:1][C:14]1=[CH:6][C:17]([C:28]2([C:18]3=[CH:9][C:20]([C:26](=[O:37])[OH:38])=[C:25]([OH:36])[C:16]([CH2:13][OH:30])=[CH:8]3)[C:21]3=[CH:5][CH:3]=[CH:2][CH:4]=[C:19]3[C:27](=[O:39])[O:40]2)=[CH:7][C:15]([CH2:10][N:29]([CH2:11][C:22](=[O:31])[OH:32])[CH2:12][C:23](=[O:33])[OH:34])=[C:24]1[OH:35] |
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