input word = C00064532

Metabolite InformationStructural formula
Name Ziganein-5-methyl ether
Formula C16H12O4
Mw 268.07355887
CAS RN 76695-93-7
C_ID C00064532
InChIKey RFURGWSMUIAQQO-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O4/c1-8-6-10-13(11(17)7-8)15(18)9-4-3-5-12(20-2)14(9)16(10)19/h3-7,17H,1-2H3
SMILES COc1cccc2c1C(=O)c1cc(C)cc(O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe sabaea Ref.
PlantaeAsphodelaceaeAloe saponaria Ref.
PlantaeAsphodelaceaeAloe vera Ref.
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OrganismAloe barbadensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.