| Properties | Image |
|---|
| MNX_ID | MNXM148974 |
 |
| reference | metacycM:CPD-15789 |
| formula | C20H18O8 |
| global charge | 0 |
| mol weight | 386.356 |
| InChIKey | XGUMQVUWZOLAQN-DXYQDPOISA-N |
| InChI | InChI=1S/C20H18O8/c1-2-20(28)6-9(22)11-14(19(20)27)18(26)12-13(17(11)25)16(24)10-7(15(12)23)4-3-5-8(10)21/h3-5,9,19,21-22,25-28H,2,6H2,1H3/t9-,19?,20+/m0/s1 |
| SMILES | CC[C@@]1(O)C[C@H](O)C2=C(C(O)=C3C(=O)C4=C(C(=O)C3=C2O)C(O)=CC=C4)C1O |
MNX internals
| InChI (mnx) | InChI=1/C20H18O8/c1-2-20(28)6-9(22)11-14(19(20)27)18(26)12-13(17(11)25)16(24)10-7(15(12)23)4-3-5-8(10)21/h3-5,9,19,21-22,25-28H,2,6H2,1H3/t9-,19?,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C@@:20]1([OH:28])[CH2:6][C@H:9]([OH:22])[C:11]2=[C:17]([OH:25])[C:13]3=[C:12]([C:15](=[O:23])[C:7]4=[C:10]([C:8]([OH:21])=[CH:5][CH:3]=[CH:4]4)[C:16]3=[O:24])[C:18]([OH:26])=[C:14]2[CH:19]1[OH:27] |
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