input word = C00050542

Metabolite InformationStructural formula
Name beta,beta-Dimethylacrylshikonin
(+)-beta,beta-Dimethylacrylshikonin
Formula C21H22O6
Mw 370.14163844
CAS RN 24502-79-2
C_ID C00050542
InChIKey BATBOVZTQBLKIL-QGZVFWFLSA-N
InChICode InChI=1S/C21H22O6/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/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1
SMILES CC(C)=CC[C@@H](OC(=O)C=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.
PlantaeBoraginaceaeArnebia guttata Ref.
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
PlantaeBoraginaceaeLithospermum viridiflorum Ref.
PlantaeBoraginaceaeOnosma paniculata Ref.
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OrganismLithospermum viridiflorum
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.