input word = C00049576

Metabolite InformationStructural formula
Name Taiwanin E methyl ether
Formula C21H14O7
Mw 378.0739528
CAS RN 30403-00-0
C_ID C00049576 ,
InChIKey BBROIWXMVHRRMJ-UHFFFAOYSA-N
InChICode InChI=1S/C21H14O7/c1-23-20-12-6-17-16(27-9-28-17)5-11(12)18(19-13(20)7-24-21(19)22)10-2-3-14-15(4-10)26-8-25-14/h2-6H,7-9H2,1H3
SMILES c12c(c(c3c(c1c1ccc4c(c1)OCO4)cc1c(c3)OCO1)OC)COC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia ciliata Ref.
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