input word = C00057795

Metabolite InformationStructural formula
Name Theasinensin G
Formula C44H34O21
Mw 898.15925815
CAS RN 116403-61-3
C_ID C00057795
InChIKey JLFHSPGTENNODT-UHFFFAOYSA-N
InChICode InChI=1S/C44H34O21/c45-16-5-23(47)20-12-34(64-43(60)14-1-27(51)37(56)28(52)2-14)41(62-32(20)7-16)19-10-26(50)25(49)9-18(19)36-22(11-31(55)39(58)40(36)59)42-35(13-21-24(48)6-17(46)8-33(21)63-42)65-44(61)15-3-29(53)38(57)30(54)4-15/h1-11,34-35,41-42,45-59H,12-13H2
SMILES O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)cc1-c1c(C2Oc3cc(O)cc(O)c3CC2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1
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)