| Properties | Image |
MNX_ID | MNXM166435 |
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reference | sabiorkM:27541 |
formula | C16H18O7 |
global charge | 0 |
mol weight | 322.313 |
InChIKey | CQKHENXHLAUMBH-OSLYUKSHSA-N |
InChI | InChI=1S/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3/t8-,13+,14+,15-,16+/m1/s1 |
SMILES | CC1=CC(=O)OC2=C1C=CC(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
InChI (mnx) | InChI=1/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3/t8-,13+,14+,15-,16+/m1/s1 |
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SMILES (mnx) | [CH3:1][C:7]1=[CH:5][C:12](=[O:17])[O:23][C:11]2=[C:10]1[CH:4]=[CH:3][C:9]([O:22][C@H:16]1[C@H:15]([OH:20])[C@@H:14]([OH:19])[C@@H:13]([OH:18])[C@@H:8]([CH3:2])[O:21]1)=[CH:6]2 |
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