input word = C00004977

Metabolite InformationStructural formula
Name Quercetagetin 3-methyl ether 7-O-sulfate
Formula C16H12O11S
Mw 412.01003196
CAS RN 76060-27-0
C_ID C00004977 ,
InChIKey QOBBVPZWFXTPBO-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O11S/c1-25-16-14(21)11-9(5-10(12(19)13(11)20)27-28(22,23)24)26-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-20H,1H3,(H,22,23,24)
SMILES COc1c(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)c(O)c(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena lobata Ref.
PlantaeAsteraceaeNeurolaena macrocephala Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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