| Properties | Image |
MNX_ID | MNXM105262 |
 |
reference | chebi:70150 |
formula | C16H22O6 |
global charge | 0 |
mol weight | 310.346 |
InChIKey | QBCACQPIGRTBHJ-QWRGUYRKSA-N |
InChI | InChI=1S/C16H22O6/c1-4-5-10(17)8-11-6-9-7-12(20-2)15(21-3)14(18)13(9)16(19)22-11/h7,10-11,17-18H,4-6,8H2,1-3H3/t10-,11-/m0/s1 |
SMILES | CCC[C@H](O)C[C@@H]1CC2=C(C(=O)O1)C(O)=C(OC)C(OC)=C2 |
MNX internals
InChI (mnx) | InChI=1/C16H22O6/c1-4-5-10(17)8-11-6-9-7-12(20-2)15(21-3)14(18)13(9)16(19)22-11/h7,10-11,17-18H,4-6,8H2,1-3H3/t10-,11-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:5][C@@H:10]([CH2:8][C@@H:11]1[CH2:6][C:9]2=[C:13]([C:14]([OH:18])=[C:15]([O:21][CH3:3])[C:12]([O:20][CH3:2])=[CH:7]2)[C:16](=[O:19])[O:22]1)[OH:17] |
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