| Properties | Image |
|---|
| MNX_ID | MNXM10443 |
 |
| reference | chebi:81954 |
| formula | C25H24O9 |
| global charge | 0 |
| mol weight | 468.458 |
| InChIKey | KFUXKXHMNCBEOS-XNZPQWAXSA-N |
| InChI | InChI=1S/C25H24O9/c1-9-5-11-7-14(28)20-22(18(11)13(27)6-9)25(32)19-12(26)3-4-16(21(19)24(20)31)34-17-8-15(29)23(30)10(2)33-17/h3-6,10,14-15,17,23,26-30H,7-8H2,1-2H3/t10-,14-,15-,17+,23-/m1/s1 |
| SMILES | CC1=CC2=C(C(O)=C1)C1=C(C(=O)C3=C(O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)C=CC(O)=C3C1=O)[C@H](O)C2 |
MNX internals
| InChI (mnx) | InChI=1/C25H24O9/c1-9-5-11-7-14(28)20-22(18(11)13(27)6-9)25(32)19-12(26)3-4-16(21(19)24(20)31)34-17-8-15(29)23(30)10(2)33-17/h3-6,10,14-15,17,23,26-30H,7-8H2,1-2H3/t10-,14-,15-,17+,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[CH:5][C:11]2=[C:18]([C:13]([OH:27])=[CH:6]1)[C:22]1=[C:20]([C@H:14]([OH:28])[CH2:7]2)[C:24](=[O:31])[C:21]2=[C:16]([O:34][C@H:17]3[CH2:8][C@@H:15]([OH:29])[C@H:23]([OH:30])[C@@H:10]([CH3:2])[O:33]3)[CH:4]=[CH:3][C:12]([OH:26])=[C:19]2[C:25]1=[O:32] |
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