| Properties | Image |
MNX_ID | MNXM104650 |
 |
reference | chebi:68282 |
formula | C15H18O6 |
global charge | 0 |
mol weight | 294.303 |
InChIKey | GBAMGKOMMOEKIB-GVARAGBVSA-N |
InChI | InChI=1S/C15H18O6/c1-7-5-8(16)12-9(6-7)21-14(2)10(17)3-4-11(18)15(14,20)13(12)19/h5-6,10-11,16-18,20H,3-4H2,1-2H3/t10-,11-,14-,15-/m0/s1 |
SMILES | CC1=CC(O)=C2C(=O)[C@@]3(O)[C@@H](O)CC[C@H](O)[C@]3(C)OC2=C1 |
MNX internals
InChI (mnx) | InChI=1/C15H18O6/c1-7-5-8(16)12-9(6-7)21-14(2)10(17)3-4-11(18)15(14,20)13(12)19/h5-6,10-11,16-18,20H,3-4H2,1-2H3/t10-,11-,14-,15-/m0/s1 |
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SMILES (mnx) | [CH3:1][C:7]1=[CH:5][C:8]([OH:16])=[C:12]2[C:9](=[CH:6]1)[O:21][C@@:14]1([CH3:2])[C@@H:10]([OH:17])[CH2:3][CH2:4][C@H:11]([OH:18])[C@:15]1([OH:20])[C:13]2=[O:19] |
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