6-Ketoestriol,化合物成分

6-Ketoestriol

public_id

FDB022098

IUPAC 名称

(1S,10R,11S,13R,14R,15S)-5,13,14-trihydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-8-one

描述

6-Ketoestriol is a normal human metabolite that is in elevated concentration in the urine of patients with prolactinoma. (PMID 9812172) [HMDB]

CAS号

7323-86-6

异构

[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C=C(O)C=C3)C(=O)C[C@@]21[H]

InChI标识符

InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1

键

PYFIDTBVOMQKDC-XCYHEEQWSA-N

平均分子量

302.151809192

id

22261

含有化合物的食物

食物id	食物名称
430	Ostrich
353	Mule deer
595	Mountain hare
358	Mallard duck
383	Horse
378	Guinea hen
373	Greylag goose
451	European rabbit
365	Emu
364	Elk
549	Domestic pig
541	Domestic goat
535	Deer
624	Columbidae (Dove, Pigeon)
334	Chicken
506	Cattle (Beef, Veal)
316	Buffalo
303	Bison
542	Beefalo
590	Anatidae