public_id

FDB005023

IUPAC 名称

6-methoxy-8,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-one

描述

Braylin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Braylin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Braylin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes braylin a potential biomarker for the consumption of these food products.

CAS号

异构

COC1=CC2=C(OC(=O)C=C2)C2=C1OC(C)(C)C=C2

InChI标识符

InChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3

键

UOFNVZWWIXXTMZ-UHFFFAOYSA-N

平均分子量

258.089208936

id

5024

含有化合物的食物

食物id	食物名称
57	Sweet orange
56	Mandarin orange (Clementine, Tangerine)
54	Lemon