| Properties | Image |
MNX_ID | MNXM22576 |
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reference | lipidmapsM:LMPK12140622 |
formula | C18H18O6 |
global charge | 0 |
mol weight | 330.336 |
InChIKey | WOJRCCMCPJKNHZ-UHFFFAOYSA-N |
InChI | InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-7,9,13,20H,8H2,1-3H3 |
SMILES | COC1=CC=C(C2CC(=O)C3=C(C=C(OC)C(OC)=C3O)O2)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C18H18O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-7,9,13,20H,8H2,1-3H3/t13? |
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SMILES (mnx) | [CH3:1][O:21][C:11]1=[CH:7][CH:5]=[C:10]([CH:13]2[CH2:8][C:12](=[O:19])[C:16]3=[C:17]([OH:20])[C:18]([O:23][CH3:3])=[C:15]([O:22][CH3:2])[CH:9]=[C:14]3[O:24]2)[CH:4]=[CH:6]1 |
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