input word = C00051012

Metabolite InformationStructural formula
Name Isovalerylshikonin
Formula C21H24O6
Mw 372.1572885
CAS RN 52387-14-1
C_ID C00051012
InChIKey UTOUNDHZJFIVPK-AGDOHHJYNA-N
InChICode InChI=1S/C21H24O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,10,12,17,22-23H,8-9H2,1-4H3/t17-/m1/s1
SMILES CC(C)=CC[C@@H](OC(=O)CC(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
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OrganismLithospermum erythrorhizon
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)