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aloenin

PropertiesImage
MNX_IDMNXM15834 Image of MNXM15834
referencechebi:176869
formulaC19H22O10
global charge0
mol weight410.375
InChIKeyKFJNVVJUICKJEQ-LQDZTQBFSA-N
InChIInChI=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
SMILESCOC1=CC(=O)OC(C2=C(C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM15834
SMILES (mnx)[CH3:1][C:8]1=[CH:3][C:9]([OH:21])=[CH:4][C:11]([O:28][C@H:19]2[C@H:18]([OH:25])[C@@H:17]([OH:24])[C@H:16]([OH:23])[C@@H:13]([CH2:7][OH:20])[O:29]2)=[C:15]1[C:12]1=[CH:5][C:10]([O:26][CH3:2])=[CH:6][C:14](=[O:22])[O:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176869
chebi:176869
KFJNVVJUICKJEQ-LQDZTQBFSA-N 		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
KFJNVVJUICKJEQ-LQDZTQBFSA-N 		aloenin

seedM:M_cpd22998 		secondary/obsolete/fantasy identifier