input word = C00060831

Metabolite InformationStructural formula
Name Isotheaflavin 3'-O-gallate
Formula C36H28O16
Mw 716.13773485
CAS RN 220473-67-6
C_ID C00060831
InChIKey GPLOTACQBREROW-AGTQRKCCSA-N
InChICode
SMILES O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=C(O)C(O)=C4C(=O)C(O)=CC(=CC43)C5OC=6C=C(O)C=C(O)C6CC5O)C7=CC(O)=C(O)C(O)=C7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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