| Properties | Image |
|---|
| MNX_ID | MNXM15041 |
 |
| reference | metacycM:CPD-8153 |
| formula | C24H21O11 |
| global charge | -1 |
| mol weight | 485.421 |
| InChIKey | LIODKELLAQLGKG-KNVXYYRZSA-M |
| InChI | InChI=1S/C24H22O11/c25-15-9-16(12-4-2-1-3-5-12)34-17-8-13(6-7-14(15)17)33-24-23(31)22(30)21(29)18(35-24)11-32-20(28)10-19(26)27/h1-9,18,21-24,29-31H,10-11H2,(H,26,27)/p-1/t18-,21-,22+,23-,24?/m1/s1 |
| SMILES | O=C([O-])CC(=O)OC[C@H]1OC(OC2=CC3=C(C=C2)C(=O)C=C(C2=CC=CC=C2)O3)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C24H22O11/c25-15-9-16(12-4-2-1-3-5-12)34-17-8-13(6-7-14(15)17)33-24-23(31)22(30)21(29)18(35-24)11-32-20(28)10-19(26)27/h1-9,18,21-24,29-31H,10-11H2,(H,26,27)/t18-,21-,22+,23-,24?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]([C:16]2=[CH:9][C:15](=[O:25])[C:14]3=[C:17]([CH:8]=[C:13]([O:33][CH:24]4[C@H:23]([OH:31])[C@@H:22]([OH:30])[C@H:21]([OH:29])[C@@H:18]([CH2:11][O:32][C:20]([CH2:10][C:19](=[O:26])[OH:27])=[O:28])[O:35]4)[CH:6]=[CH:7]3)[O:34]2)[CH:5]=[CH:3]1 |
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