| Properties | Image |
MNX_ID | MNXM101553 |
 |
reference | chebi:66265 |
formula | C18H18O5 |
global charge | 0 |
mol weight | 314.337 |
InChIKey | SPWBEELZNSXNME-CMDGGOBGSA-N |
InChI | InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+ |
SMILES | COC1=C(C(=O)/C=C/C2=CC=CC=C2O)C(O)=C(C)C(O)=C1C |
MNX internals
InChI (mnx) | InChI=1/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+ |
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SMILES (mnx) | [CH3:1][C:10]1=[C:16]([OH:21])[C:11]([CH3:2])=[C:18]([O:23][CH3:3])[C:15]([C:14](/[CH:9]=[CH:8]/[C:12]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:13]2[OH:19])=[O:20])=[C:17]1[OH:22] |
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