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phaseollidin hydrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4773

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₀H₂₂O₅

charge

mass

342.14672

reference

InChIKey

KSSHIKBOZWMDTR-KXBFYZLASA-N

InChI

InChI=1S/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3/t15-,19-/m0/s1

SMILES

CC(C)(O)CCc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@@H]21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17465 chebi:17465	phaseollidin hydrate (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol Phaseollidin hydrate
kegg.compound:C05229 keggC:C05229	Phaseollidin hydrate
seed.compound:cpd03102 seedM:cpd03102	Phaseollidin hydrate phaseollidin-hydrate
metacyc.compound:PHASEOLLIDIN-HYDRATE metacycM:PHASEOLLIDIN-HYDRATE	phaseollidin-hydrate
chebi:14775 chebi:25949 chebi:8045 keggC:M_C05229 seedM:M_cpd03102	secondary/obsolete/fantasy identifier