public_id

FDB018797

IUPAC 名称

(10S,11R,12R,13R,15R)-6-[5-({[(10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0^{2,7}.0^{10,15}]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2(7),3,5,19,21-hexaen-13-yl 3,4,5-trihydroxybenzoate

描述

Ellagitannin isolated from Sanguisorba officinalis (burnet bloodwort). Sanguiin H8 is found in tea and herbs and spices.

CAS号

98975-04-3

异构

OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(OC3=C4C(=C(O)C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OC[C@H]3O[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H](O)[C@@H](O)[C@@H]3OC4=O)=C2)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H]1O

InChI标识符

InChI=1S/C54H42O36/c55-8-22-34(67)45-46(88-51(80)14-7-20(61)32(65)36(69)25(14)24-13(50(79)87-45)6-19(60)31(64)35(24)68)54(84-22)90-48(77)11-3-17(58)30(63)21(4-11)83-44-28-27(38(71)39(72)40(44)73)26-12(5-18(59)33(66)37(26)70)49(78)82-9-23-43(86-52(28)81)41(74)42(75)53(85-23)89-47(76)10-1-15(56)29(62)16(57)2-10/h1-7,22-23,34,41-43,45-46,53-75H,8-9H2/t22-,23-,34-,41-,42-,43-,45+,46-,53-,54+/m1/s1

键

WUALHADVSUQRQJ-ACASXHEFSA-N

平均分子量

1266.145577736

id

18804

含有化合物的食物

食物id	食物名称
38	Tea
957	Red tea
897	Herbs and Spices
1021	Herbal tea
940	Green tea
939	Black tea