| C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
| C00000152 | 7400-08-0 | p-Coumaric acid | C9H8O3 | 164.04734412 | Lithospermum erythrorhizon |
| C00000615 | 501-16-6 | Caffeic acid | C9H8O4 | 180.04225874 | Lithospermum erythrorhizon |
| C00000846 | 763-10-0 | Geranyl diphospate | C10H20O7P2 | 314.06842597 | Lithospermum erythrorhizon |
| C00000852 | 68631-48-1 | m-Geranyl-p-hydroxybenzoic acid | C17H22O3 | 274.15689457 | Lithospermum erythrorhizon |
| C00000856 | 99-96-7 | 4-hydroxybenzoic acid | C7H6O3 | 138.03169406 | Lithospermum erythrorhizon |
| C00000859 | 517-89-5 | Shikonin | C16H16O5 | 288.09977362 | Lithospermum erythrorhizon |
| C00000859 | 517-89-5 | Shikonin | C16H16O5 | 288.09977362 | Lithospermum officinale |
| C00001157 | 22350-68-1 | L- Bornesitol | C7H14O6 | 194.07903818 | Lithospermum ruderale |
| C00001183 | 110-17-8 | Fumaric acid | C4H4O4 | 116.01095862 | Lithospermum arvense |
| C00001189 | 503-74-2 | 3-Methylbutanoic acid | C5H10O2 | 102.06807956 | Lithospermum erythrorhizon |
| C00002093 | 10285-06-0 | Intermedine | C15H25NO5 | 299.17327292 | Lithospermum erythrorhizon |
| C00002099 | 10285-07-1 | Lycopsamine | C15H25NO5 | 299.17327292 | Lithospermum canesens |
| C00002400 | 28831-65-4 | Lithospermic acid | C27H22O12 | 538.11112617 | Lithospermum ruderale |
| C00002400 | 28831-65-4 | Lithospermic acid | C27H22O12 | 538.11112617 | Lithospermum officinalis |
| C00002770 | 20283-92-5 | Labiatenic acid | C18H16O8 | 360.08451749 | Lithospermum ruderale |
| C00026163 | 74243-01-9 | 7-Acetylintermedine | C17H27NO6 | 341.1838376 | Lithospermum canesens |
| C00026164 | 73544-48-6 | 7-Acetyllycopsamine | C17H27NO6 | 341.1838376 | Lithospermum canesens |
| C00029460 | 13201-46-2 | 2-Methyl-2-butenoic acid | C5H8O2 | 100.0524295 | Lithospermum erythrorhizon |
| C00029461 | 116-53-0 | 2-Methylbutanoic acid | C5H10O2 | 102.06807956 | Lithospermum erythrorhizon |
| C00029462 | 79-31-2 | 2-Methylpropanoic acid | C4H8O2 | 88.0524295 | Lithospermum erythrorhizon |
| C00030677 | 63492-69-3 | Lithospermoside | C14H19NO8 | 329.11106659 | Lithospermum purpureo-caeruleum |
| C00030757 | 112-63-0 | Linoleic acid, methyl ester | C19H34O2 | 294.25588033 | Lithospermum erythrorhizon |
| C00030760 | 112-62-9 | Methyl oleate | C19H36O2 | 296.27153039 | Lithospermum erythrorhizon |
| C00031982 | 121521-90-2 | Salvianolic acid B | C36H30O16 | 718.15338491 | Lithospermum erythrorhizon |
| C00040156 | 240811-82-9 | Rhizonone | C16H14O3 | 254.09429431 | Lithospermum erythrorhizon |
| C00050541 | 34539-65-6 | beta,beta-Dimethylacrylalkannin | C21H22O6 | 370.14163844 | Lithospermum erythrorhizon |
| C00050542 | 24502-79-2 | beta,beta-Dimethylacrylshikonin | C21H22O6 | 370.14163844 | Lithospermum erythrorhizon |
| C00050542 | 24502-79-2 | beta,beta-Dimethylacrylshikonin | C21H22O6 | 370.14163844 | Lithospermum viridiflorum |
| C00050577 | 43043-74-9 | Deoxyshikonin | C16H16O4 | 272.104859 | Lithospermum erythrorhizon |
| C00050577 | 43043-74-9 | Deoxyshikonin | C16H16O4 | 272.104859 | Lithospermum viridiflorum |
| C00050883 | 52438-12-7 | Isobutylshikonin | C20H22O6 | 358.14163844 | Lithospermum erythrorhizon |
| C00050883 | 52438-12-7 | Isobutylshikonin | C20H22O6 | 358.14163844 | Lithospermum viridiflorum |
| C00051012 | 52387-14-1 | Isovalerylshikonin | C21H24O6 | 372.1572885 | Lithospermum erythrorhizon |
| C00051299 | 83415-78-5 | Lithospermidin A | C21H24O7 | 388.15220312 | Lithospermum erythrorhizon |
| C00051300 | 83415-79-6 | Lithospermidin B | C21H24O7 | 388.15220312 | Lithospermum erythrorhizon |
| C00051680 | 82535-76-0 | Myoscorpine | C20H31NO6 | 381.21513773 | Lithospermum erythrorhizon |
| C00063749 | 126642-92-0 | Hydroxymyoscorpine | C20H31NO7 | 397.21005235 | Lithospermum erythrorhizon |
| C00063945 | 159690-29-6 | Acetyllithosenine | C22H35NO9 | 457.23118172 | Lithospermum officinale |
| C00063946 | 159903-58-9 | Lithosenine | C20H33NO8 | 415.22061704 | Lithospermum officinale |
| C00064211 | 24502-78-1 | Acetylshikonin | C18H18O6 | 330.11033831 | Lithospermum erythrorhizon |
| C00064211 | 24502-78-1 | Acetylshikonin | C18H18O6 | 330.11033831 | Lithospermum viridiflorum |
| C00064439 | 612820-62-9 | Canescenine | C20H33NO7 | 399.22570242 | Lithospermum canesens |
| C00064517 | 7415-78-3 | beta-Hydroxyisovalerylshikonin | C21H24O7 | 388.15220312 | Lithospermum erythrorhizon |