input word = C00057792

Metabolite InformationStructural formula
Name Theasinensin E
Formula C30H26O14
Mw 610.13225554
CAS RN 116348-81-3
C_ID C00057792
InChIKey JPBGHWKYWUEIOT-UHFFFAOYSA-N
InChICode InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2
SMILES Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1-c1c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c1O)C(O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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OrganismCamellia sinensis var. viridis
ReferenceNonaka, G. et al., Chem. Pharm. Bull., 1983, 31, 3906

1988, 36, 1676 (isol, struct, pmr, cmr)