| Properties | Image |
MNX_ID | MNXM23640 |
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reference | lipidmapsM:LMPK12140672 |
formula | C17H16O7 |
global charge | 0 |
mol weight | 332.308 |
InChIKey | SIBOXXWFOGWBSM-UHFFFAOYSA-N |
InChI | InChI=1S/C17H16O7/c1-22-14-5-8(3-4-9(14)18)13-7-11(20)15-10(19)6-12(21)16(23-2)17(15)24-13/h3-6,13,18-19,21H,7H2,1-2H3 |
SMILES | COC1=C(O)C=CC(C2CC(=O)C3=C(O2)C(OC)=C(O)C=C3O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H16O7/c1-22-14-5-8(3-4-9(14)18)13-7-11(20)15-10(19)6-12(21)16(23-2)17(15)24-13/h3-6,13,18-19,21H,7H2,1-2H3/t13? |
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SMILES (mnx) | [CH3:1][O:22][C:14]1=[C:9]([OH:18])[CH:4]=[CH:3][C:8]([CH:13]2[CH2:7][C:11](=[O:20])[C:15]3=[C:17]([C:16]([O:23][CH3:2])=[C:12]([OH:21])[CH:6]=[C:10]3[OH:19])[O:24]2)=[CH:5]1 |
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