| Properties | Image |
|---|
| MNX_ID | MNXM45781 |
 |
| reference | metacycM:CPD-14887 |
| formula | C25H28O13 |
| global charge | 0 |
| mol weight | 536.486 |
| InChIKey | XLAIEMDZJHCSTR-STBHGANZSA-N |
| InChI | InChI=1S/C25H28O13/c1-32-11-6-5-10(7-12(11)37-25-21(31)20(30)17(27)15(9-26)38-25)22-24(35-4)19(29)16-13(36-22)8-14(33-2)23(34-3)18(16)28/h5-8,15,17,20-21,25-28,30-31H,9H2,1-4H3/t15-,17-,20+,21-,25-/m1/s1 |
| SMILES | COC1=CC=C(C2=C(OC)C(=O)C3=C(O)C(OC)=C(OC)C=C3O2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O13/c1-32-11-6-5-10(7-12(11)37-25-21(31)20(30)17(27)15(9-26)38-25)22-24(35-4)19(29)16-13(36-22)8-14(33-2)23(34-3)18(16)28/h5-8,15,17,20-21,25-28,30-31H,9H2,1-4H3/t15-,17-,20+,21-,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:32][C:11]1=[C:12]([O:37][C@H:25]2[C@H:21]([OH:31])[C@@H:20]([OH:30])[C@H:17]([OH:27])[C@@H:15]([CH2:9][OH:26])[O:38]2)[CH:7]=[C:10]([C:22]2=[C:24]([O:35][CH3:4])[C:19](=[O:29])[C:16]3=[C:18]([OH:28])[C:23]([O:34][CH3:3])=[C:14]([O:33][CH3:2])[CH:8]=[C:13]3[O:36]2)[CH:5]=[CH:6]1 |
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