input word = C00059534

Metabolite InformationStructural formula
Name [2R-[2alpha(2R*,3R*),3alpha]]-3,4,5-Trihydroxy-benzoic acid, (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,7-diyl)bis(3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl) ester
Formula C43H32O20
Mw 868.14869347
CAS RN 126715-86-4
C_ID C00059534
InChIKey YLQIFALAJQXJLU-UHFFFAOYSA-N
InChICode
SMILES O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=CC=4C(C(=O)C3O)=C(O)C(O)=CC4C5OC=6C=C(O)C=C(O)C6CC5OC(=O)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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