| Properties | Image |
|---|
| MNX_ID | MNXM50831 |
 |
| reference | lipidmapsM:LMPK12140651 |
| formula | C22H24O10 |
| global charge | 0 |
| mol weight | 448.424 |
| InChIKey | BZGHUZGALXIEBL-GDOLDAJKSA-N |
| InChI | InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3/t13?,15-,17-,18+,19-,22-/m1/s1 |
| SMILES | COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C(O)C2=C1OC(C1=CC=CC=C1)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3/t13?,15-,17-,18+,19-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:29][C:20]1=[C:14]([O:31][C@H:22]2[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@H:17]([OH:26])[C@@H:15]([CH2:9][OH:23])[O:32]2)[CH:8]=[C:12]([OH:25])[C:16]2=[C:21]1[O:30][CH:13]([C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[CH2:7][C:11]2=[O:24] |
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