| Properties | Image |
MNX_ID | MNXM26028 |
 |
reference | lipidmapsM:LMPK12120280 |
formula | C25H30O11 |
global charge | 0 |
mol weight | 506.504 |
InChIKey | HVISDQXFNJPZDE-NYPBKLTOSA-N |
InChI | InChI=1S/C25H30O11/c1-31-14-7-5-13(17(9-14)33-3)6-8-16(27)21-18(34-4)10-15(32-2)11-19(21)35-25-24(30)23(29)22(28)20(12-26)36-25/h5-11,20,22-26,28-30H,12H2,1-4H3/b8-6+/t20-,22-,23+,24-,25-/m1/s1 |
SMILES | COC1=CC(OC)=C(/C=C/C(=O)C2=C(OC)C=C(OC)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C25H30O11/c1-31-14-7-5-13(17(9-14)33-3)6-8-16(27)21-18(34-4)10-15(32-2)11-19(21)35-25-24(30)23(29)22(28)20(12-26)36-25/h5-11,20,22-26,28-30H,12H2,1-4H3/b8-6+/t20-,22-,23+,24-,25-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][O:31][C:14]1=[CH:9][C:17]([O:33][CH3:3])=[C:13](/[CH:6]=[CH:8]/[C:16]([C:21]2=[C:18]([O:34][CH3:4])[CH:10]=[C:15]([O:32][CH3:2])[CH:11]=[C:19]2[O:35][C@H:25]2[C@H:24]([OH:30])[C@@H:23]([OH:29])[C@H:22]([OH:28])[C@@H:20]([CH2:12][OH:26])[O:36]2)=[O:27])[CH:5]=[CH:7]1 |
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