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(S)-Bitalin A 12-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM115443

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

formula

C₁₉H₂₄O₈

charge

mass

380.14712

reference

InChIKey

TTWVIHLNMJFBMC-UHFFFAOYSA-N

InChI

InChI=1S/C19H24O8/c1-9(8-25-19-18(24)17(23)16(22)15(7-20)27-19)14-6-12-5-11(10(2)21)3-4-13(12)26-14/h3-5,14-20,22-24H,1,6-8H2,2H3

SMILES

C=C(COC1OC(CO)C(O)C(O)C1O)C1Cc2cc(C(C)=O)ccc2O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168360 chebi:168360	(S)-Bitalin A 12-glucoside 1-[2-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzouran-5-yl]ethanone
hmdb:HMDB0038328	(S)-Bitalin A 12-glucoside 1-[2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one 1-[2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
hmdb:HMDB38328	secondary/obsolete/fantasy identifier