| Properties | Image |
|---|
| MNX_ID | MNXM119831 |
 |
| reference | hmdb:HMDB0031829 |
| formula | C28H24O8 |
| global charge | 0 |
| mol weight | 488.492 |
| InChIKey | WZTQDHIHDRTWFQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3 |
| SMILES | COC1=C(C2C(C(C)=O)C(C(C)=O)C2C2=C(OC)C=CC3=C2OC(=O)C=C3)C2=C(C=CC(=O)O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3/t21?,22?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH:21]1[CH:22]([C:14]([CH3:2])=[O:30])[CH:26]([C:24]2=[C:18]([O:34][CH3:4])[CH:10]=[CH:6][C:16]3=[C:28]2[O:36][C:20](=[O:32])[CH:12]=[CH:8]3)[CH:25]1[C:23]1=[C:17]([O:33][CH3:3])[CH:9]=[CH:5][C:15]2=[C:27]1[O:35][C:19](=[O:31])[CH:11]=[CH:7]2)=[O:29] |
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