input word = C00059531

Metabolite InformationStructural formula
Name [2R-[2alpha,3beta,8(alphaS*,betaS*)]]-beta-(3,4-Dimethoxyphenyl)-3,4-dihydro-3-hydroxy-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-alpha-[(2,4,6-trimethoxyphenyl)methyl]-2H-1-benzopyran-8-ethanol
Formula C40H48O13
Mw 736.30949162
CAS RN 126715-81-9
C_ID C00059531
InChIKey SBZNTKRUOYCJOH-UOKTXYBMSA-N
InChICode InChI=1S/C40H48O13/c1-43-23-16-29(45-3)24(30(17-23)46-4)18-26(41)36(21-11-12-28(44-2)32(13-21)48-6)37-33(49-7)20-31(47-5)25-19-27(42)38(53-39(25)37)22-14-34(50-8)40(52-10)35(15-22)51-9/h11-17,20,26-27,36,38,41-42H,18-19H2,1-10H3/t26-,27-,36+,38+/m0/s1
SMILES COc1cc(OC)c(CC(O)C(c2ccc(OC)c(OC)c2)c2c(OC)cc(OC)c3c2OC(c2cc(OC)c(OC)c(OC)c2)C(O)C3)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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