input word = C00009329

Metabolite InformationStructural formula
Name Camelliatannin F
Formula C48H34O26
Mw 1026.13383126
CAS RN 154561-15-6
C_ID C00009329 ,
InChIKey QVQMITBCNKWSNM-ZRHCODPJNA-N
InChICode InChI=1S/C48H34O26/c49-15-2-1-10(3-17(15)51)38-21(55)4-11-16(50)8-23-27(39(11)70-38)29-41-42(73-46(67)14-7-20(54)33(59)36(62)26(14)28-30(47(68)72-41)48(29,74-23)43(64)37(28)63)40-22(56)9-69-44(65)12-5-18(52)31(57)34(60)24(12)25-13(45(66)71-40)6-19(53)32(58)35(25)61/h1-3,5-8,21-22,29-30,38,40-42,49-63H,4,9H2/t21-,22+,29+,30+,38-,40+,41-,42-,48+/m0/s1
SMILES O=C1O[C@@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OCC2O)C2OC(=O)[C@H]3C(=C(O)C(=O)C34Oc3cc(O)c5c(c3[C@H]24)O[C@H](c2ccc(O)c(O)c2)[C@H](O)C5)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

Han,Chem.Pharm.Bull.,42,(1994),1399