| Properties | Image |
|---|
| MNX_ID | MNXM114449 |
 |
| reference | metacycM:CPD-14859 |
| formula | C25H28O13 |
| global charge | 0 |
| mol weight | 536.486 |
| InChIKey | PMAJLEYACVZCSG-KHFODKEQSA-N |
| InChI | InChI=1S/C25H28O13/c1-32-10-7-12(27)16-14(8-10)36-22(24(35-4)18(16)29)11-5-6-13(33-2)23(34-3)21(11)38-25-20(31)19(30)17(28)15(9-26)37-25/h5-8,15,17,19-20,25-28,30-31H,9H2,1-4H3/t15-,17-,19+,20-,25+/m1/s1 |
| SMILES | COC1=CC(O)=C2C(=O)C(OC)=C(C3=CC=C(OC)C(OC)=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H28O13/c1-32-10-7-12(27)16-14(8-10)36-22(24(35-4)18(16)29)11-5-6-13(33-2)23(34-3)21(11)38-25-20(31)19(30)17(28)15(9-26)37-25/h5-8,15,17,19-20,25-28,30-31H,9H2,1-4H3/t15-,17-,19+,20-,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:32][C:10]1=[CH:7][C:12]([OH:27])=[C:16]2[C:14](=[CH:8]1)[O:36][C:22]([C:11]1=[C:21]([O:38][C@H:25]3[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:17]([OH:28])[C@@H:15]([CH2:9][OH:26])[O:37]3)[C:23]([O:34][CH3:3])=[C:13]([O:33][CH3:2])[CH:6]=[CH:5]1)=[C:24]([O:35][CH3:4])[C:18]2=[O:29] |
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