| Properties | Image |
MNX_ID | MNXM22835 |
 |
reference | lipidmapsM:LMPK12140577 |
formula | C23H22O6 |
global charge | 0 |
mol weight | 394.423 |
InChIKey | POMYWCNEUNRBFJ-UHFFFAOYSA-N |
InChI | InChI=1S/C23H22O6/c1-12(2)4-6-14-21(27-3)15-8-9-28-22(15)20-18(26)11-19(29-23(14)20)13-5-7-16(24)17(25)10-13/h4-5,7-10,19,24-25H,6,11H2,1-3H3 |
SMILES | COC1=C(CC=C(C)C)C2=C(C(=O)CC(C3=CC=C(O)C(O)=C3)O2)C2=C1C=CO2 |
MNX internals
InChI (mnx) | InChI=1/C23H22O6/c1-12(2)4-6-14-21(27-3)15-8-9-28-22(15)20-18(26)11-19(29-23(14)20)13-5-7-16(24)17(25)10-13/h4-5,7-10,19,24-25H,6,11H2,1-3H3/t19? |
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SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:4][CH2:6][C:14]1=[C:23]2[C:20](=[C:22]3[C:15](=[C:21]1[O:27][CH3:3])[CH:8]=[CH:9][O:28]3)[C:18](=[O:26])[CH2:11][CH:19]([C:13]1=[CH:10][C:17]([OH:25])=[C:16]([OH:24])[CH:7]=[CH:5]1)[O:29]2 |
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