public_id

FDB020497

IUPAC 名称

(5S,11R,14R)-11-(butan-2-yl)-3,6,9,12-tetrahydroxy-2-{[(2S)-1-hydroxy-2-({hydroxy[(2S)-1-[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carbonyl]pyrrolidin-2-yl]methylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-5-(propan-2-yl)-1,4,7,10,13-pentaazatricyclo[14.6.1.0^{17,22}]tricosa-3,6,9,12,16(23),17,19,21-octaene-14-carboxylic acid

描述

Isolated from Lycium chinense (Chinese boxthorn). Lyciumin D is found in tea, coffee and coffee products, and herbs and spices.

CAS号

150415-40-0

异构

CCC(C)[C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)N2C=C(C[C@@H](NC1=O)C(O)=O)C1=C2C=CC=C1)C(C)C

InChI标识符

InChI=1S/C45H57N9O11/c1-5-24(4)37-42(61)49-31(45(64)65)20-26-22-54(32-10-7-6-9-28(26)32)38(43(62)51-36(23(2)3)41(60)46-21-35(57)50-37)52-39(58)30(19-25-12-14-27(55)15-13-25)48-40(59)33-11-8-18-53(33)44(63)29-16-17-34(56)47-29/h6-7,9-10,12-15,22-24,29-31,33,36-38,55H,5,8,11,16-21H2,1-4H3,(H,46,60)(H,47,56)(H,48,59)(H,49,61)(H,50,57)(H,51,62)(H,52,58)(H,64,65)/t24?,29-,30-,31+,33-,36-,37+,38?/m0/s1

键

HAUPTKIUBJOOOL-SNDWKQQDSA-N

平均分子量

899.417753711

id

20505

含有化合物的食物

食物id	食物名称
38	Tea
60	Robusta coffee
957	Red tea
897	Herbs and Spices
1021	Herbal tea
940	Green tea
891	Coffee and coffee products
939	Black tea
59	Arabica coffee