public_id

FDB018796

IUPAC 名称

(1R,2S,19R,20R,22R)-36-[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]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl 3,4,5-trihydroxybenzoate

描述

A dimeric tannin from the underground parts of Sanguisorba officinalis (burnet bloodwort). Sanguiin H3 is found in tea and herbs and spices.

CAS号

82262-86-0

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]5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(C=C(O)C(O)=C6O)C(=O)O[C@H]5[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/C68H48O44/c69-10-28-44(85)55-57(109-64(99)17-8-25(76)41(82)47(88)32(17)30-15(62(97)107-55)6-23(74)39(80)45(30)86)67(104-28)112-60(95)13-3-21(72)38(79)27(4-13)103-54-36-35(50(91)51(92)52(54)93)34-14(5-22(73)43(84)49(34)90)61(96)102-11-29-53(106-66(36)101)56-58(68(105-29)111-59(94)12-1-19(70)37(78)20(71)2-12)110-65(100)18-9-26(77)42(83)48(89)33(18)31-16(63(98)108-56)7-24(75)40(81)46(31)87/h1-9,28-29,44,53,55-58,67-93H,10-11H2/t28-,29-,44-,53-,55+,56+,57-,58-,67+,68-/m1/s1

键

AWWZTMCKNVRAEN-XRVDGUIQSA-N

平均分子量

1568.151844904

id

18803

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