public_id

FDB021366

IUPAC 名称

(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 2-{[(10S,11R)-10-[(R)-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl](hydroxy)methyl]-11-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,16,17,18-pentahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0^{2,7}]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy}-3,4,5-trihydroxybenzoate

描述

Constituent of the leaves of Camellia japonica. Camelliatannin D is found in tea and fats and oils.

CAS号

148159-87-9

异构

O[C@@H]([C@@H]1OC(=O)C2=CC(OC3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]3C(O)O[C@@H]4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(O)C(O)=C(O)C=C5C(=O)O[C@H]4[C@@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)O[C@H]1[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC[C@H]1O)C1=C(O)C2=C(O[C@@H]([C@H](O)C2)C2=CC=C(O)C(O)=C2)C=C1O

InChI标识符

InChI=1S/C83H62O50/c84-27-2-1-17(3-28(27)85)67-38(95)6-19-40(125-67)14-29(86)49(50(19)97)65(112)71-72(69-39(96)15-123-76(115)20-7-32(89)52(99)59(106)43(20)45-22(78(117)128-69)9-34(91)54(101)61(45)108)132-80(119)24-11-36(93)56(103)63(110)47(24)48-25(81(120)130-71)13-41(58(105)64(48)111)126-68-26(12-37(94)57(104)66(68)113)82(121)133-74-73(131-75(114)18-4-30(87)51(98)31(88)5-18)70-42(127-83(74)122)16-124-77(116)21-8-33(90)53(100)60(107)44(21)46-23(79(118)129-70)10-35(92)55(102)62(46)109/h1-5,7-14,38-39,42,65,67,69-74,83-113,122H,6,15-16H2/t38-,39-,42-,65-,67-,69-,70-,71+,72+,73+,74-,83?/m1/s1

键

HQDHUGSORVCVJK-MZLSEXLYSA-N

平均分子量

1858.230883084

id

21375

含有化合物的食物

食物id	食物名称
38	Tea
957	Red tea
1021	Herbal tea
940	Green tea
894	Fats and oils
939	Black tea