| Properties | Image |
MNX_ID | MNXM40693 |
 |
reference | chebi:230615 |
formula | C23H26O8 |
global charge | 0 |
mol weight | 430.453 |
InChIKey | DKLGTRLGRWKLHB-UHFFFAOYSA-N |
InChI | InChI=1S/C23H26O8/c1-23(2,27)9-8-12-10-13(6-7-15(12)28-3)20-22(30-5)19(26)17-16(31-20)11-14(24)21(29-4)18(17)25/h6-7,10-11,24-25,27H,8-9H2,1-5H3 |
SMILES | COC1=CC=C(C2=C(OC)C(=O)C3=C(C=C(O)C(OC)=C3O)O2)C=C1CCC(C)(C)O |
MNX internals
InChI (mnx) | InChI=1/C23H26O8/c1-23(2,27)9-8-12-10-13(6-7-15(12)28-3)20-22(30-5)19(26)17-16(31-20)11-14(24)21(29-4)18(17)25/h6-7,10-11,24-25,27H,8-9H2,1-5H3 |
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SMILES (mnx) | [CH3:1][C:23]([CH3:2])([CH2:9][CH2:8][C:12]1=[C:15]([O:28][CH3:3])[CH:7]=[CH:6][C:13]([C:20]2=[C:22]([O:30][CH3:5])[C:19](=[O:26])[C:17]3=[C:16]([CH:11]=[C:14]([OH:24])[C:21]([O:29][CH3:4])=[C:18]3[OH:25])[O:31]2)=[CH:10]1)[OH:27] |
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