| Properties | Image |
MNX_ID | MNXM29874 |
 |
reference | lipidmapsM:LMPK12050339 |
formula | C24H26O9 |
global charge | 0 |
mol weight | 458.463 |
InChIKey | FBUPXHQDNXCVLC-AISPUCENSA-N |
InChI | InChI=1S/C24H26O9/c1-11-16(33-24-22(28)21(27)19(25)12(2)32-24)9-17(30-4)18-20(26)15(10-31-23(11)18)13-5-7-14(29-3)8-6-13/h5-10,12,19,21-22,24-25,27-28H,1-4H3/t12-,19-,21+,22+,24-/m0/s1 |
SMILES | COC1=CC=C(C2=COC3=C(C)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(OC)=C3C2=O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C24H26O9/c1-11-16(33-24-22(28)21(27)19(25)12(2)32-24)9-17(30-4)18-20(26)15(10-31-23(11)18)13-5-7-14(29-3)8-6-13/h5-10,12,19,21-22,24-25,27-28H,1-4H3/t12-,19-,21+,22+,24-/m0/s1 |
 |
SMILES (mnx) | [CH3:1][C:11]1=[C:23]2[C:18](=[C:17]([O:30][CH3:4])[CH:9]=[C:16]1[O:33][C@H:24]1[C@H:22]([OH:28])[C@H:21]([OH:27])[C@@H:19]([OH:25])[C@H:12]([CH3:2])[O:32]1)[C:20](=[O:26])[C:15]([C:13]1=[CH:6][CH:8]=[C:14]([O:29][CH3:3])[CH:7]=[CH:5]1)=[CH:10][O:31]2 |
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