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artoindonesianin E1

PropertiesImage
MNX_IDMNXM102844 Image of MNXM102844
referencechebi:65441
formulaC26H26O6
global charge0
mol weight434.488
InChIKeyKULOJVAPXYSRNQ-SOFGYWHQSA-N
InChIInChI=1S/C26H26O6/c1-13(2)6-8-16-20(30-5)12-22-23(24(16)28)25(29)18-11-19(14(3)4)31-21-10-15(27)7-9-17(21)26(18)32-22/h6-10,12-13,19,27-28H,3,11H2,1-2,4-5H3/b8-6+
SMILESC=C(C)C1CC2=C(OC3=CC(OC)=C(/C=C/C(C)C)C(O)=C3C2=O)C2=C(C=C(O)C=C2)O1
MNX internals
InChI (mnx)InChI=1/C26H26O6/c1-13(2)6-8-16-20(30-5)12-22-23(24(16)28)25(29)18-11-19(14(3)4)31-21-10-15(27)7-9-17(21)26(18)32-22/h6-10,12-13,19,27-28H,3,11H2,1-2,4-5H3/b8-6+/t19? Image of MNXM102844
SMILES (mnx)[CH3:1][CH:13]([CH3:2])/[CH:6]=[CH:8]/[C:16]1=[C:20]([O:30][CH3:5])[CH:12]=[C:22]2[C:23](=[C:24]1[OH:28])[C:25](=[O:29])[C:18]1=[C:26]([C:17]3=[C:21]([CH:10]=[C:15]([OH:27])[CH:7]=[CH:9]3)[O:31][CH:19]([C:14](=[CH2:3])[CH3:4])[CH2:11]1)[O:32]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65441
chebi:65441
KULOJVAPXYSRNQ-SOFGYWHQSA-N
artoindonesianin E1
3,9-dihydroxy-11-methoxy-10-[(1E)-3-methylbut-1-en-1-yl]-6-(prop-1-en-2-yl)-6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one