| Properties | Image |
|---|
| MNX_ID | MNXM1193577 |
 |
| reference | envipathM:...af20d5622f72 |
| formula | C19H21O8 |
| global charge | -3 |
| mol weight | 377.369 |
| InChIKey | PVMJFIQPVVOWIR-UHFFFAOYSA-K |
| InChI | InChI=1S/C19H24O8/c1-11-4-5-12(6-13(17(23)24)8-16(21)22)7-15(11)27-10-14(20)9-19(2,3)18(25)26/h4-5,7,13H,6,8-10H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/p-3 |
| SMILES | CC1=CC=C(CC(CC(=O)[O-])C(=O)[O-])C=C1OCC(=O)CC(C)(C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H24O8/c1-11-4-5-12(6-13(17(23)24)8-16(21)22)7-15(11)27-10-14(20)9-19(2,3)18(25)26/h4-5,7,13H,6,8-10H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/t13? |
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| SMILES (mnx) | [CH3:1][C:11]1=[C:15]([O:27][CH2:10][C:14]([CH2:9][C:19]([CH3:2])([CH3:3])[C:18](=[O:25])[OH:26])=[O:20])[CH:7]=[C:12]([CH2:6][CH:13]([CH2:8][C:16](=[O:21])[OH:22])[C:17](=[O:23])[OH:24])[CH:5]=[CH:4]1 |
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