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aloenin

Properties

Image

Occurences in reactions

MNX_ID

MNXM15834

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₉H₂₂O₁₀

charge

mass

410.1213

reference

chebi:176869

InChIKey

KFJNVVJUICKJEQ-LQDZTQBFSA-N

InChI

InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1

SMILES

COc1cc(-c2c(C)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc(=O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176869 chebi:176869	aloenin 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
metacyc.compound:CPD-11557 metacycM:CPD-11557 seed.compound:cpd22998 seedM:cpd22998	aloenin
seedM:M_cpd22998	secondary/obsolete/fantasy identifier