| C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
| C00000604 | 29388-59-8 | (-)-Secoisolariciresinol | C20H26O6 | 362.17293856 | Rubus amabilis |
| C00001178 | 124-04-9 | Adipic acid | C6H10O4 | 146.05790881 | Rubus idaeus |
| C00001179 | 50-81-7 | (+)-Ascorbic acid | C6H8O6 | 176.03208799 | Rubus idaeus L. |
| C00001188 | 6061-97-8 | Isocitric acid | C6H8O7 | 192.02700261 | Rubus spp. |
| C00001308 | 141-78-6 | Ethyl acetate | C4H8O2 | 88.0524295 | Rubus spp. |
| C00001429 | 50-67-9 | 5-Hydroxytryptamine | C10H12N2O | 176.09496302 | Rubus chingii |
| C00001434 | 61-54-1 | Tryptamine | C10H12N2 | 160.1000484 | Rubus chingii |
| C00002374 | 7084-24-4 | Cyanidin 3-O-glucoside | C21H21O11.Cl | 484.07723923 | Rubus idaeus |
| C00002376 | 18719-76-1 | Antirrhinin | C27H31O15.Cl | 630.13514803 | Rubus spp. |
| C00002670 | 87-66-1 | Pyrogallol | C6H6O3 | 126.03169406 | Rubus rigididus |
| C00002670 | 87-66-1 | Pyrogallol | C6H6O3 | 126.03169406 | Rubus rigidus |
| C00002903 | 501-36-0 | Resveratrol | C14H12O3 | 228.07864425 | Rubus occidentalis |
| C00002903 | 501-36-0 | Resveratrol | C14H12O3 | 228.07864425 | Rubus idaeus |
| C00002909 | 79786-00-8 | Casuarictin | C41H28O26 | 936.08688107 | Rubus spp. |
| C00002932 | 7045-42-3 | Pedunculagin | C34H24O22 | 784.07592246 | Rubus spp. |
| C00002935 | 29106-51-2 | Procyanidin B4 | C30H26O12 | 578.1424263 | Rubus idaeus |
| C00002935 | 29106-51-2 | Procyanidin B4 | C30H26O12 | 578.1424263 | Rubus fruticosus |
| C00003485 | 57817-89-7 | Stevioside | C38H60O18 | 804.37796512 | Rubus suavissimus |
| C00003672 | 83-46-5 | (-)-beta-Sitosterol | C29H50O | 414.38616622 | Rubus ellipticus |
| C00003785 | 3763-55-1 | Rubixanthin | C40H56O | 552.43311641 | Rubus chamaemorus |
| C00004638 | 2068-02-2 | Quercetin 3,7-dimethyl ether | C17H14O7 | 330.0739528 | Rubus phoenicolasius |
| C00004639 | 4382-17-6 | 3,3'-Dimethylquercetin | C17H14O7 | 330.0739528 | Rubus phoenicolasius |
| C00005137 | 23627-87-4 | Kaempferol 3-O-galactoside | C21H20O11 | 448.10056148 | Rubus hirsutus |
| C00005180 | 61032-88-0 | Kaempferol 3-glucoside-7-xyloside | C26H28O15 | 580.14282023 | Rubus spp. |
| C00005948 | 106915-93-9 | Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] | C27H28O16 | 608.13773485 | Rubus spp. |
| C00005948 | 106915-93-9 | Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] | C27H28O16 | 608.13773485 | Rubus sp. |
| C00006630 | 18466-51-8 | Callistephin | C21H21O10 | 433.11347189 | Rubus spp. |
| C00006639 | 33978-17-5 | Pelargonidin 3-rutinoside | C27H31O14 | 579.1713807 | Rubus spp. |
| C00006644 | | Pelargonidin 3-(2G-glucosylrutinoside) | C33H41O19 | 741.22420413 | Rubus spp. |
| C00006657 | 33012-73-6 | Sambicyanin | C26H29O15.Cl | 616.11949797 | Rubus spp. |
| C00006657 | 33012-73-6 | Sambicyanin | C26H29O15.Cl | 616.11949797 | Rubus occidentalis |
| C00006657 | 33012-73-6 | Sambicyanin | C26H29O15.Cl | 616.11949797 | Rubus idaeus |
| C00006658 | 38820-68-7,18376-31-3 | Cyanidin 3-sophoroside | C27H31O16 | 611.16120995 | Rubus idaeus |
| C00006671 | 38226-79-8 | Cyanidin 3-(2G-xylosylrutinoside) | C32H39O19 | 727.20855407 | Rubus spp. |
| C00006672 | 34443-62-4 | Cyanidin 3-(2G-glucosylrutinoside) | C33H41O20+ | 757.21911875 | Rubus idaeus L. |
| C00006675 | 62024-14-0 | Cyanidin 3-rutinoside-5-glucoside | C33H41O20 | 757.21911875 | Rubus spp. |
| C00006681 | 6906-39-4 | Oxycoccicyanin | C22H23O11.Cl | 498.09288929 | Rubus spp. |
| C00007190 | 487-36-5 | (+)-Pinoresinol | C20H22O6 | 358.14163844 | Rubus amabilis |
| C00009071 | 23567-23-9 | Procyanidin B3 | C30H26O12 | 578.1424263 | Rubus spp. |
| C00009073 | 12798-60-6 | Procyanidin B8 | C30H26O12 | 578.1424263 | Rubus fruticosus |
| C00009073 | 12798-60-6 | Procyanidin B8 | C30H26O12 | 578.1424263 | Rubus idaeus |
| C00009075 | 20315-25-7 | Procyanidin B1 | C30H26O12 | 578.1424263 | Rubus spp. |
| C00009076 | 12798-57-1 | Procyanidin B5 | C30H26O12 | 578.1424263 | Rubus spp. |
| C00011153 | 476-66-4 | Ellagic acid | C14H6O8 | 302.00626717 | Rubus idaeus L. |
| C00012406 | 20082-17-1 | Pregeijerene | C12H18 | 162.14085057 | Rubus rosifolius |
| C00012810 | 63891-61-2 | Rosifoliol | C15H26O | 222.19836545 | Rubus rosiofolius |
| C00012810 | 63891-61-2 | Rosifoliol | C15H26O | 222.19836545 | Rubus rosifolius |
| C00014777 | 398454-26-7 | Cyanidin 3-(6''-dioxalylglucoside) | C25H21O17 | 593.07787425 | Rubus laciniatus |
| C00016318 | 99-10-5 | alpha-Resorcylic acid | C7H6O4 | 154.02660868 | Rubus niveus |
| C00019308 | 474-58-8 | 3-O-beta-D-Glucopyranosyl sitosterol | C35H60O6 | 576.43898965 | Rubus ellipticus |
| C00019490 | 13850-16-3 | Tormentic acid | C30H48O5 | 488.35017464 | Rubus cochichinensis |
| C00019491 | 53155-25-2 | Euscaphic acid | C30H48O5 | 488.35017464 | Rubus ellipticus var.obcordatus |
| C00024112 | 119725-20-1 | Fupenzic acid | C30H44O5 | 484.31887452 | Rubus chingii HU |
| C00028770 | 128508-53-2 | O-Methylrobustimine | C19H23NO4 | 329.16270823 | Phelline comosa rubusta |
| C00028935 | 128508-54-3 | Robusticine | C19H25NO4 | 331.17835829 | Phelline comosa rubusta |
| C00028936 | 128533-18-6 | Robustimine | C18H21NO4 | 315.14705817 | Phelline comosa rubusta |
| C00029412 | 70868-78-9 | 19alpha-Hydroxyasiatic acid | C30H48O6 | 504.34508927 | Rubus ellipticus var.obcordatus |
| C00029451 | 4547-24-4 | 2alpha,3beta-Dihydroxyurs-12-en-28-oic acid | C30H48O4 | 472.35526002 | Rubus alceaefolius |
| C00029633 | 7372-30-7 | Acetylursolic acid | C32H50O4 | 498.37091008 | Rubus ellipticus |
| C00031250 | 577705-72-7 | Rubusside A | C40H64O11 | 720.44486289 | Rubus allegheniensis PORT. |
| C00032701 | 180028-16-4 | Alpinoside | C18H24O11 | 416.13186161 | Rubus ellipticus var.obcordatus |
| C00033334 | 297141-58-3 | Quadranoside VIII | C36H56O10 | 648.38734801 | Rubus ellipticus var.obcordatus |
| C00034295 | 221457-56-3 | Suavissimoside F1 | C38H58O13 | 722.38774194 | Rubus cochichinensis |
| C00035162 | 55306-03-1 | Sericic acid | C30H48O6 | 504.34508927 | Rubus ellipticus var.obcordatus |
| C00035163 | 55306-04-2 | Sericoside | C36H58O11 | 666.3979127 | Rubus ellipticus var.obcordatus |
| C00041092 | 5471-51-2 | 4-(4-Hydroxyphenyl)-2-butanone | C10H12O2 | 164.08372963 | Rubus idaeus |
| C00044210 | 95298-47-8 | Kaji-ichigoside F1 | C30H58O10 | 578.40299807 | Rubus ellipticus var.obcordatus |
| C00046784 | 78-79-5 | Isoprene | C5H8 | 68.06260026 | Rubus ursinus |
| C00046784 | 78-79-5 | Isoprene | C5H8 | 68.06260026 | Rubus fruticosus |
| C00047089 | 264617-26-7 | Rubupungenoside A | C73H112O24 | 1372.75435451 | Rubus pungens |
| C00047090 | 264617-27-8 | Rubupungenoside B | C73H112O24 | 1372.75435451 | Rubus pungens |
| C00047770 | 389057-16-3 | Buergericic acid | C30H48O6 | 504.34508927 | Rubus ellipticus var.obcordatus |
| C00048019 | 871018-31-4 | Niga-ichigoside F1 | C36H58O11 | 666.3979127 | Rubus alceaefolius |
| C00048019 | 871018-31-4 | Niga-ichigoside F1 | C36H58O11 | 666.3979127 | Rubus taiwanicolus |
| C00048019 | 871018-31-4 | Niga-ichigoside F1 | C36H58O11 | 666.3979127 | Rubus parviforlius |
| C00048019 | 871018-31-4 | Niga-ichigoside F1 | C36H58O11 | 666.3979127 | Rubus ellipticus var.obcordatus |
| C00048048 | 42719-32-4 | Pedunculoside | C36H58O10 | 650.40299807 | Rubus ellipticus var.obcordatus |
| C00048084 | 1189131-72-3 | Rubuside A | C36H56O9 | 632.39243339 | Rubus ellipticus var.obcordatus |
| C00048085 | 1189131-73-4 | Rubuside B | C36H56O9 | 632.39243339 | Rubus ellipticus var.obcordatus |
| C00048086 | 1189131-74-5 | Rubuside C | C36H56O10 | 648.38734801 | Rubus ellipticus var.obcordatus |
| C00048087 | 1189131-75-6 | Rubuside D | C36H56O9 | 632.39243339 | Rubus ellipticus var.obcordatus |
| C00048088 | 1189131-76-7 | Rubuside E | C36H56O9 | 632.39243339 | Rubus ellipticus var.obcordatus |
| C00048089 | 1189131-77-8 | Rubuside F | C36H56O9 | 632.39243339 | Rubus ellipticus var.obcordatus |
| C00048090 | 1189131-78-9 | Rubuside G | C36H56O9 | 632.39243339 | Rubus ellipticus var.obcordatus |
| C00048091 | 1189131-79-0 | Rubuside H | C36H56O10 | 648.38734801 | Rubus ellipticus var.obcordatus |
| C00048092 | 1189131-80-3 | Rubuside I | C36H58O10 | 650.40299807 | Rubus ellipticus var.obcordatus |
| C00048093 | 1189131-81-4 | Rubuside J | C36H56O11 | 664.38226263 | Rubus ellipticus var.obcordatus |
| C00049914 | 169054-93-7 | (Z)-9,10-Epoxynonacosane | C29H58O | 422.44876647 | Rubus thibetanus |
| C00051985 | 608-07-1 | 5-Methoxytryptamine | C11H14N2O | 190.11061308 | Rubus chingii |
| C00052006 | 73-31-4 | Melatonin | C13H16N2O2 | 232.12117777 | Rubus chingii |
| C00052715 | 123-42-2 | Acetonyldimethylcarbinol | C6H12O2 | 116.08372963 | Rubus arcticus |
| C00054926 | 37946-59-1 | N,N'-1,4-Butanediylbis[3-(4-hydroxyphenyl)-2-propenamide] | C22H24N2O4 | 380.17360727 | Rubus idaeus |
| C00055484 | 64963-51-5 | Cyanidin 7-glucoside | C21H21O11+ | 449.10838652 | Rubus fruticosus |
| C00057071 | 145851-28-1 | Rubusuavin C | C82H54O52 | 1870.15811208 | Rubus glaucus |
| C00057071 | 145851-28-1 | Rubusuavin C | C82H54O52 | 1870.15811208 | Rubus suavissimus |
| C00057140 | 1725-04-8 | Oxacyclotetradecan-2-one | C13H24O2 | 212.17763001 | Rubus sp. |
| C00057324 | 28348-90-5 | Rubitic acid | C30H48O4 | 472.35526002 | Rubus fruticosus |
| C00057388 | 4219-24-3 | 2-Pentene-1-carboxylic acid | C6H10O2 | 114.06807956 | Rubus idaeus |
| C00057563 | 79592-61-3 | Quercetin 3-glucoside 7-xyloside | C26H28O16 | 596.13773485 | Rubus spp. |
| C00057574 | 82262-94-0 | Potentillin | C41H28O26 | 936.08688107 | Rubus spp. |
| C00057682 | 94662-96-1 | Rubinic acid | C30H46O4 | 470.33960996 | Rubus fruticosus |
| C00057694 | 957467-77-5 | Rubusuaviin B | C82H56O52 | 1872.17376215 | Rubus suavissimus |
| C00057695 | 957467-79-7 | Rubusuaviin D | C116H76O74 | 2652.21838447 | Rubus suavissimus |
| C00058280 | 947692-20-8 | TG1 | C36H60O8 | 620.42881889 | Rubus idaeus |
| C00058281 | 947692-21-9 | TG3 | C36H58O10 | 650.40299807 | Rubus idaeus |