MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Sissotrin

	Properties	Image
MNX_ID	MNXM1371470
reference	hmdb:HMDB0033990
formula	C₂₂H₂₂O₁₀
global charge	0
mol weight	446.408
InChIKey	LFEUICHQZGNOHD-UHFFFAOYSA-N
InChI	InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3
SMILES	COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16?,19?,20?,21?,22?
SMILES (mnx)	[CH3:1][O:29][C:11]1=[CH:5][CH:3]=[C:10]([C:13]2=[CH:9][O:30][C:15]3=[CH:7][C:12]([O:31][CH:22]4[CH:21]([OH:28])[CH:20]([OH:27])[CH:19]([OH:26])[CH:16]([CH2:8][OH:23])[O:32]4)=[CH:6][C:14]([OH:24])=[C:17]3[C:18]2=[O:25])[CH:2]=[CH:4]1

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
Identifier	Description
hmdb:HMDB0033990 LFEUICHQZGNOHD-UHFFFAOYSA-N	Sissotrin 5-hydroxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5-hydroxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one Astroside BIOCHANIN a 7-O-b-D-glucopyranoside Biochanin a 7-O-beta-D-glucoside Biochanin a-7-O-beta-D-glucoside Biochanin a-7-O-glucoside
hmdb:HMDB33990	secondary/obsolete/fantasy identifier