| Properties | Image |
MNX_ID | MNXM23218 |
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reference | lipidmapsM:LMPK12140128 |
formula | C17H16O6 |
global charge | 0 |
mol weight | 316.309 |
InChIKey | XMFCMXPYIULHFX-UHFFFAOYSA-N |
InChI | InChI=1S/C17H16O6/c1-21-9-3-4-12(18)11(5-9)15-8-14(20)17-13(19)6-10(22-2)7-16(17)23-15/h3-7,15,18-19H,8H2,1-2H3 |
SMILES | COC1=CC=C(O)C(C2CC(=O)C3=C(C=C(OC)C=C3O)O2)=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H16O6/c1-21-9-3-4-12(18)11(5-9)15-8-14(20)17-13(19)6-10(22-2)7-16(17)23-15/h3-7,15,18-19H,8H2,1-2H3/t15? |
 |
SMILES (mnx) | [CH3:1][O:21][C:9]1=[CH:5][C:11]([CH:15]2[CH2:8][C:14](=[O:20])[C:17]3=[C:13]([OH:19])[CH:6]=[C:10]([O:22][CH3:2])[CH:7]=[C:16]3[O:23]2)=[C:12]([OH:18])[CH:4]=[CH:3]1 |
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