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sesaminol

Properties

Image

Occurences in reactions

MNX_ID

MNXM114425

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

formula

C₂₀H₁₈O₇

charge

mass

370.10525

reference

chebi:145778

InChIKey

KQRXQIPRDKVZPW-ISZNXKAUSA-N

InChI

InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2/t12-,13-,19+,20+/m0/s1

SMILES

Oc1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145778 chebi:145778	sesaminol (+)-sesaminol (1S-(1alpha,3aalpha,4alpha,6aalpha))-6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-ol 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-ol justisolin
metacyc.compound:CPD-14837 metacycM:CPD-14837 seed.compound:cpd32703 seedM:cpd32703	(+)-sesaminol
seedM:M_cpd32703	secondary/obsolete/fantasy identifier