input word = C00059537

Metabolite InformationStructural formula
Name [2R-[2alpha(2R*,3R*),3alpha]]-1,7-Bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one
Formula C29H24O12
Mw 564.12677623
CAS RN 126786-47-8
C_ID C00059537
InChIKey UXRMWRBWCAGDQB-UHFFFAOYSA-N
InChICode InChI=1S/C29H24O12/c30-10-3-17(32)15-8-20(35)28(40-22(15)5-10)13-2-1-12-14(7-19(34)26(38)24(12)27(39)25(13)37)29-21(36)9-16-18(33)4-11(31)6-23(16)41-29/h1-7,20-21,28-36,38H,8-9H2,(H,37,39)
SMILES O=c1c(O)c(C2Oc3cc(O)cc(O)c3CC2O)ccc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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