| 生物碱 Alkaloids | | | |
| 1 | 可可碱 Theobromine* | 21601922±564017a | 23610245±1235150b | 31765707±910344c |
| 2 | 咖啡碱 Caffeine* | 81927164±669239a | 84157969±833682b | 92249135±626755c |
| 氨基酸 Amino acids | | | |
| 3 | 赖氨酸 Lysine* | 415102±33333a | 304636±13196b | 287939±21857b |
| 4 | 组氨酸 Histidine* | 106521±2331a | 114046±1501b | 115505±4088b |
| 5 | 精氨酸 Arginine* | 1080777±17439a | 411284±30083b | 310232±11544c |
| 6 | 谷氨酰胺 Glutamine* | 11504894±248750a | 9510890±228064b | 8544787±165748c |
| 7 | 天冬酰胺 Asparagine* | 269010±4047a | 330815±12527b | 386838±12683c |
| 8 | 天冬氨酸 Aspartic acid* | 2471046±65470a | 3061948±147858b | 3511442±163262c |
| 9 | 苏氨酸 Threonine* | 508856±15011a | 541787±29692a | 658518±34367b |
| 10 | 谷氨酸 Glutamic acid* | 12341565±309155a | 13270317±611986b | 13439150±632674b |
| 11 | 脯氨酸 Proline* | 2645963±379642a | 2440953±213986ab | 2108482±62378b |
| 12 | 哌啶酸 Pipecolic acid | 3248531±142042a | 2935336±171353b | 1764292±38796c |
| 13 | 缬氨酸 Valine* | 2339386±101496a | 2238141±130139a | 1919611±60701b |
| 14 | 焦谷氨酸 Pyroglutamic acid | 1062221±57097a | 811492±72660b | 771975±48705b |
| 15 | 茶氨酸 Theanine* | 68360338±585955a | 66479617±411838b | 68385572±731671a |
| 16 | 络氨酸 Tyrosine* | 1786868±93078a | 1549169±153847b | 1106611±81550c |
| 17 | 亮氨酸 Leucine* | 1443868±81819a | 1408718±79026a | 1573454±70977b |
| 18 | 异亮氨酸 Isoleucine* | 3262703±121220a | 3024099±132531ab | 2798292±251013b |
| 19 | 苯丙氨酸 Phenylalanine* | 4853644±269826a | 4666955±267358a | 2267113±388453b |
| 20 | 色氨酸 Tryptophan* | 5472135±160789a | 5984855±345522b | 11062018±429397c |
| 儿茶素类物质 Catechins | | | |
| 21 | 没食子儿茶素 GC* | 10739724±248150a | 7266229±1746807b | 6619543±177288b |
| 22 | 表没食子儿茶素 EGC* | 39500597±1284644a | 37443505±1664176b | 34546359±1417812c |
| 23 | 儿茶素 C* | 8415688±210799a | 7060237±384357b | 8382320±246267a |
| 24 | 表没食子儿茶素没食子酸酯 EGCG* | 29958037±706088a | 30326483±808249a | 34639578±1220789b |
| 25 | 表没食子儿茶素-3,5-二没食子酸酯
EGC 3,5-digallate | 273480±42970a | 283272±48547a | 1053013±139393b |
| 26 | 没食子儿茶素没食子酸酯 GCG | 972901±112326a | 1030902±94020a | 1425857±71356b |
| 27 | 表儿茶素 EC* | 19771924±1020879a | 18019916±667293b | 19623903±522374a |
| 28 | 表没食子儿茶素-3- (3-O-甲基)没食子酸酯 EGCG3''Me* | 120447±4955a | 140818±4851b | 199237±10846c |
| 29 | 表儿茶素没食子酸酯 ECG* | 18779724±793807a | 17384430±501165a | 24909140±1543699b |
| 30 | 表阿夫儿茶精 Epiafzelechin* | 734021±40623a | 779426±44759a | 632343±30136b |
| 31 | 表没食子儿茶素-3-O (4-O-甲基)没食子酸酯 EGCG4''Me | 172678±3694a | 186962±6304b | 117215±7432c |
| 32 | 表阿夫儿茶精-3-没食子酸酯 Epiafzelechin 3-gallate | 361261±14773a | 417017±48019a | 872386±74888b |
| 儿茶素二聚体类物质 Dimeric catechins | | | |
| 33 | 原花青素B3 Procyanidin B3 | 1456926±144947a | 1318465±164090a | 1777328±154439b |
| 34 | 原花青素B5 Procyanidin B5 | 676231±36224a | 607400±27511a | 865820±81000b |
| 35 | 原花青素B1 Procyanidin B1 | 12734590±529138a | 11845963±653962a | 14682473±1649024b |
| 36 | 原花青素B2 Procyanidin B2* | 3648511±97335a | 3372480±218490b | 4396056±133796c |
| 37 | 原花青素C1 Procyanidin C1 | 442411±27557a | 407848±31717a | 576841±29677b |
| 38 | 聚酯型儿茶素B Theasinensin B | 2686283±501963a | 2475063±384834a | 2088193±324752a |
| 39 | 聚酯型儿茶素A Theasinensin A | 1078878±239782a | 1060887±272465a | 1853021±224828b |
| 40 | 表儿茶素-4α-8-表儿茶素没食子酸酯
EC-(4alpha->8)-ECG | 3126006±328977a | 3187820±548213a | 3992103±491254b |
| 黄酮（醇）糖苷
Flavone glycosides and flavonol glycosides | | | |
| 41 | 芹菜素 6,8-C-二葡萄糖苷
Apigenin 6,8-C-diglucoside* | 1613798±56930a | 1630940±131948a | 777980±59120b |
| 42 | 芹菜素 6-C-葡糖-8-C-阿拉伯糖苷
Apigenin 6-C-glucosyl-8-C-arabinoside | 1660183±106041a | 1503259±97807b | 810637±78142c |
| 43 | 芹菜素 6-C-阿拉伯糖-8-C-葡萄糖苷
Apigenin 6-C-arabinoside-8-C-glucoside | 1496711±129603a | 1518132±151862a | 788376±65889b |
| 44 | 槲皮素三葡萄糖苷1 Quercetin triglucoside1 | 1612840±57495a | 1363996±78280b | 580505±25067c |
| 45 | 槲皮素二葡萄糖苷 Quercetin diglucoside | 67381±3565a | 55609±3754b | 107029±9284c |
| 46 | 槲皮素三葡萄糖苷2 Quercetin triglucoside2 | 1084804±46160a | 1141132±51278a | 638989±30546b |
| 47 | 杨梅酮 3-葡萄糖苷 Myricetin 3-glucoside | 18182085±616935a | 12072654±310669b | 3589507±251769c |
| 48 | 牡荆素 Vitexin (Apigenin 8-C-glucoside)* | 765594±51330a | 782206±55471a | 271503±22369b |
| 49 | 异牡荆素 Isovitexin (Apigenin 6-C-glucoside)* | 1181313±24234a | 979750±147049b | 233632±18079c |
| 50 | 槲皮素 3-半乳糖苷Quercetin 3-O-galactoside* | 1099792±11518a | 506247±12394b | 143146±3610c |
| 51 | 槲皮素 3-葡萄糖酰芸香糖苷
Quercetin 3-O-glucosylrutinoside | 14979656±3750206a | 8112166±2330341b | 3161317±67104c |
| 52 | 芦丁 Rutin (Quercetin 3-rutinoside)* | 2164395±550873a | 1090625±197167b | 198801±14635c |
| 53 | 异槲皮苷 Isoquercitrin (Quercetin 3-glucoside)* | 17026726±301235a | 7759338±124311b | 1851133±23502c |
| 54 | 山奈酚 3-半乳糖酰芸香糖苷
Kaempferol 3-galactosylrutinoside | 7541465±350174a | 7835962±171382a | 4825756±137690b |
| 55 | 山奈酚 3-葡糖酰芸香糖苷
Kaempferol 3-glucosylrutinoside | 7016794±174776a | 5664808±182475b | 1898898±51123c |
| 56 | 山奈酚 3-半乳糖苷 Kaempferol 3-O-galactoside* | 23176288±330927a | 20712077±535708b | 7805419±171856c |
| 57 | 山奈酚 3-芸香糖苷 Kaempferol 3-O-rutinoside* | 2816105±37743a | 1598996±83538b | 483109±13085c |
| 58 | 山奈酚 3-葡萄糖苷 Kaempferol 3-O-glucoside* | 5081721±116589a | 3529878±58811b | 936048±18986c |
| 59 | 山奈酚 3-阿拉伯糖苷 Kaempferol 3-O-arabinoside* | 1525796±41047a | 1362198±34642b | 469329±16088c |
| 香气糖苷 Glycosidically bound volatiles | | | |
| 60 | 苯甲基樱草糖苷 Benzyl primeveroside | 355943±33789a | 418331±21363b | 457889±16047c |
| 61 | 苯乙基樱草糖苷 Phenylethyl primeveroside | 303228±36908a | 670857±67252b | 2026015±184020c |
| 62 | 顺-3-己烯基樱草糖苷 cis-3-Hexenyl b-primeveroside | 115287±8765a | 129325±6209b | 219121±11667c |
| 63 | 芳樟醇氧化物樱草糖苷 Linalool oxide primeveroside | 2152086±267169a | 2604541±163205b | 972995±35694c |
| 64 | 芳樟基樱草糖苷 Linalyl primeveroside | 142195±5721a | 232484±9465b | 256285±15269c |
| 核苷（酸） Nucleosides and nucleotides | | | |
| 65 | 腺嘌呤核苷二磷酸 ADP | 289424±11725a | 241159±17959b | 233107±15448b |
| 66 | 腺嘌呤核苷酸 AMP | 2320655±155694a | 2183139±147428a | 1661637±77320b |
| 67 | (S)-5'-脱氧-5' -（甲基亚磺酰基）腺苷
(S)-5'-Deoxy-5'-(methylsulfinyl)adenosine | 3129086±882862a | 2919162±1223813a | 1980296±688545a |
| 68 | 腺苷 Adenosine* | 11518652±412666a | 10370580±354834b | 8366365±330059c |
| 69 | 鸟苷 Guanosine* | 2390845±190284a | 2035461±70401b | 1463535±89231c |
| 70 | 5'-甲硫腺苷 5'-Methylthioadenosine | 3089992±571947a | 3567162±597102a | 3150748±579503a |
| 酚酸 Phenolic acids | | | |
| 71 | 茶没食子素 Theogallin* | 25899247±573438a | 31559584±533807b | 50027889±838726c |
| 72 | 木麻黄素 Strictinin* | 1774131±71441a | 1958248±182106a | 3045129±305136b |
| 73 | 4-香豆酰奎宁酸 4-Coumaroylquinic acid | 1490324±342313a | 1610962±50961a | 1667523±402289a |
| 74 | 绿原酸 Chlorogenic acid* | 951977±26554a | 1163181±36488b | 1210987±22284c |
| 75 | 二没食子葡萄糖苷 Digalloylglucose | 54447±5062a | 65531±4727b | 136856±7065c |
| 76 | 3-O-p-香豆酰奎宁 3-O-p-Coumaroylquinic acid | 5148816±226499a | 5686498±191820a | 4357076±794521b |
| 77 | 鲁米诺酸 Lucuminic acid | 393779±42713a | 428757±27110a | 180194±17712b |
| 78 | 咖啡酰莽草酸 Caffeoylshikimic acid | 124053±3716a | 71765±2542b | 0±0c |
| 79 | 2''-O-反式香豆酰紫云英苷2''-O-trans-p-Coumaroylastragalin | 315833±14488a | 427880±10136ab | 481791±180927b |
| 其他 Others | | | |
| 80 | 胆碱磷酸 Phosphocholine | 996444±32181a | 1102106±31318b | 2057178±51259c |
| 81 | 甘油磷酸胆碱 Glycerophosphocholine | 3593165±298005a | 1005165±240471b | 689645±68058c |
| 82 | N-乳酰乙醇胺 N-Lactoyl ethanolamine | 1479644±40550a | 1231846±44941b | 956384±48087c |
| 83 | 茶氨酸葡萄糖苷 Theanine glucoside | 1570632±195849a | 1325741±40281b | 1732060±143831a |
| 84 | 1-乙基-5-羟基-2-吡咯烷酮1-Ethyl-5-hydroxy-2-pyrrolidinone* | 2415457±132124a | 2761946±73300b | 2371416±94210a |
| 85 | 泛酸 Pantothenic acid | 307404±16208a | 262262±7379b | 236161±10922c |
| 86 | 二氢猕猴桃内脂 Dihydroactinidiolide | 199672±27481a | 226319±14022b | 135856±6966c |
| 87 | N, N'-二环己基脲 N,N'-Dicyclohexylurea | 3100145±55344a | 3096187±43286a | 3041915±59904a |