| Properties | Image |
|---|
| MNX_ID | MNXM114437 |
 |
| reference | metacycM:CPD-14863 |
| formula | C25H28O14 |
| global charge | 0 |
| mol weight | 552.485 |
| InChIKey | HNOSSZATPSNVHD-RQQNTYHUSA-N |
| InChI | InChI=1S/C25H28O14/c1-33-10-6-5-9(15(27)23(10)39-25-20(32)19(31)16(28)13(8-26)38-25)21-24(36-4)18(30)14-11(37-21)7-12(34-2)22(35-3)17(14)29/h5-7,13,16,19-20,25-29,31-32H,8H2,1-4H3/t13-,16-,19+,20-,25+/m1/s1 |
| SMILES | COC1=CC=C(C2=C(OC)C(=O)C3=C(O)C(OC)=C(OC)C=C3O2)C(O)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O14/c1-33-10-6-5-9(15(27)23(10)39-25-20(32)19(31)16(28)13(8-26)38-25)21-24(36-4)18(30)14-11(37-21)7-12(34-2)22(35-3)17(14)29/h5-7,13,16,19-20,25-29,31-32H,8H2,1-4H3/t13-,16-,19+,20-,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:33][C:10]1=[C:23]([O:39][C@H:25]2[C@H:20]([OH:32])[C@@H:19]([OH:31])[C@H:16]([OH:28])[C@@H:13]([CH2:8][OH:26])[O:38]2)[C:15]([OH:27])=[C:9]([C:21]2=[C:24]([O:36][CH3:4])[C:18](=[O:30])[C:14]3=[C:17]([OH:29])[C:22]([O:35][CH3:3])=[C:12]([O:34][CH3:2])[CH:7]=[C:11]3[O:37]2)[CH:5]=[CH:6]1 |
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