| Properties | Image |
MNX_ID | MNXM17287 |
 |
reference | metacycM:Dihydrofurano-Derivatives |
formula | C21H22O7 |
global charge | 0 |
mol weight | 386.4 |
InChIKey | FUIDCBUVLDEBJL-UHFFFAOYSA-N |
InChI | InChI=1S/C21H22O7/c1-21(2,26)7-6-13-16(27-3)9-17-18(19(13)24)20(25)14(10-28-17)12-5-4-11(22)8-15(12)23/h4-5,8-10,22-24,26H,6-7H2,1-3H3 |
SMILES | COC1=C(CCC(C)(C)O)C(O)=C2C(=O)C(C3=CC=C(O)C=C3O)=COC2=C1 |
MNX internals
InChI (mnx) | InChI=1/C21H22O7/c1-21(2,26)7-6-13-16(27-3)9-17-18(19(13)24)20(25)14(10-28-17)12-5-4-11(22)8-15(12)23/h4-5,8-10,22-24,26H,6-7H2,1-3H3 |
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SMILES (mnx) | [CH3:1][C:21]([CH3:2])([CH2:7][CH2:6][C:13]1=[C:19]([OH:24])[C:18]2=[C:17]([CH:9]=[C:16]1[O:27][CH3:3])[O:28][CH:10]=[C:14]([C:12]1=[C:15]([OH:23])[CH:8]=[C:11]([OH:22])[CH:4]=[CH:5]1)[C:20]2=[O:25])[OH:26] |
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