input word = C00059946

Metabolite InformationStructural formula
Name Stereoisomer of 2-[1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4-dihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Formula C36H28O15
Mw 700.14282023
CAS RN 143883-97-0
C_ID C00059946
InChIKey NECQSRFIHVPHGP-UHFFFAOYSA-N
InChICode InChI=1S/C36H28O15/c37-15-6-22(40)19-11-27(45)35(50-28(19)8-15)18-10-26(44)33(47)31-17(18)3-13(1-2-21(31)39)34-30(12-20-23(41)7-16(38)9-29(20)49-34)51-36(48)14-4-24(42)32(46)25(43)5-14/h1-10,27,30,34-35,37-38,40-47H,11-12H2
SMILES O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)c2c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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