input word = C00050883

Metabolite InformationStructural formula
Name Isobutylshikonin
Isobutyryl shikonin
Formula C20H22O6
Mw 358.14163844
CAS RN 52438-12-7
C_ID C00050883
InChIKey BVRYLTBIGIAADD-XISACWJONA-N
InChICode InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1
SMILES CC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeArnebia euchroma Ref.
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
PlantaeBoraginaceaeLithospermum viridiflorum Ref.
zoom in