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Licoagrone

Properties

Image

Occurences in reactions

MNX_ID

MNXM127314

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₅H₄₂O₁₀

charge

mass

742.2778

reference

hmdb:HMDB0033614

InChIKey

MEJLVLSNRYLDSG-MDCVPAOJSA-N

InChI

InChI=1S/C45H42O10/c1-23(2)7-10-26-17-28(12-15-34(26)46)43(52)45(44(53)32-18-27(11-8-24(3)4)36(48)22-39(32)55-45)33-21-38(50)37(49)19-29(33)20-40-41(51)31-14-16-35(47)30(42(31)54-40)13-9-25(5)6/h7-9,12,14-22,46-50H,10-11,13H2,1-6H3/b40-20-

SMILES

CC(C)=CCc1cc(C(=O)C2(c3cc(O)c(O)cc3/C=C3\Oc4c(ccc(O)c4CC=C(C)C)C3=O)Oc3cc(O)c(CC=C(C)C)cc3C2=O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0033614	Licoagrone 2-(4,5-dihydroxy-2-{[(2Z)-6-hydroxy-7-(3-methylbut-2-en-1-yl)-3-oxo-1-benzofuran-2-ylidene]methyl}phenyl)-6-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(3-methylbut-2-en-1-yl)-1-benzofuran-3-one 2-(4,5-dihydroxy-2-{[(2Z)-6-hydroxy-7-(3-methylbut-2-en-1-yl)-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl)-6-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-3-one
hmdb:HMDB33614	secondary/obsolete/fantasy identifier