| Properties | Image |
MNX_ID | MNXM27117 |
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reference | lipidmapsM:LMPK12070066 |
formula | C17H16O6 |
global charge | 0 |
mol weight | 316.309 |
InChIKey | RIVCVLWKSXZCKZ-UHFFFAOYSA-N |
InChI | InChI=1S/C17H16O6/c1-20-15-5-13-9(4-12(15)19)17-10(7-22-13)8-3-11(18)16(21-2)6-14(8)23-17/h3-6,10,17-19H,7H2,1-2H3 |
SMILES | COC1=C(O)C=C2C(=C1)OC1C3=CC(O)=C(OC)C=C3OCC21 |
MNX internals
InChI (mnx) | InChI=1/C17H16O6/c1-20-15-5-13-9(4-12(15)19)17-10(7-22-13)8-3-11(18)16(21-2)6-14(8)23-17/h3-6,10,17-19H,7H2,1-2H3/t10?,17? |
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SMILES (mnx) | [CH3:1][O:20][C:15]1=[C:12]([OH:19])[CH:4]=[C:9]2[C:13](=[CH:5]1)[O:22][CH2:7][CH:10]1[C:8]3=[CH:3][C:11]([OH:18])=[C:16]([O:21][CH3:2])[CH:6]=[C:14]3[O:23][CH:17]21 |
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