input word = C00058276

Metabolite InformationStructural formula
Name Theaflavanoside I
Formula C26H30O14
Mw 566.16355567
CAS RN 943785-08-8
C_ID C00058276
InChIKey RDZXIOLHICKFEI-UPFQYYEWSA-N
InChICode InChI=1S/C26H30O14/c27-11-3-1-10(2-4-11)16-7-14(29)19-13(28)5-12(6-17(19)39-16)38-26-24(35)22(33)21(32)18(40-26)9-37-25-23(34)20(31)15(30)8-36-25/h1-6,15-16,18,20-28,30-35H,7-9H2/t15-,16+,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1
SMILES O=C1C2=C(C=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)O3)C=C2O)O[C@H](C5=CC=C(O)C=C5)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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