input word = C00064517

Metabolite InformationStructural formula
Name beta-Hydroxyisovalerylshikonin
Formula C21H24O7
Mw 388.15220312
CAS RN 7415-78-3
C_ID C00064517
InChIKey
InChICode InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3;InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3/t16-/m1/s1
SMILES CC(C)=CCC(OC(=O)CC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeArnebia euchroma Ref.
PlantaeBoraginaceaeArnebia guttata Ref.
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
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