input word = C00009333

Metabolite InformationStructural formula
Name Camelliatannin E
Formula C49H38O28
Mw 1074.15496064
CAS RN 148132-92-7
C_ID C00009333 ,
InChIKey XSWKCRGTEVOEIG-GFMQAIKNNA-N
InChICode InChI=1S/C49H38O28/c50-17-2-1-11(3-19(17)52)41-25(58)4-12-18(51)9-20(53)31(42(12)74-41)40(68)44-45(77-49(72)16-8-24(57)35(63)39(67)30(16)29-15(48(71)76-44)7-23(56)34(62)38(29)66)43-26(59)10-73-46(69)13-5-21(54)32(60)36(64)27(13)28-14(47(70)75-43)6-22(55)33(61)37(28)65/h1-3,5-9,25-26,40-41,43-45,50-68H,4,10H2/t25-,26-,40+,41-,43-,44+,45+/m1/s1
SMILES O=C1OCC(O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2[C@@H](O)c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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OrganismCamellia japonica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Hatano,Chem.Pharm.Bull.,43,(1995),1629