input word = C00056867

Metabolite InformationStructural formula
Name Proepitheaflagallin B
Formula C30H24O14
Mw 608.11660548
CAS RN 1138796-60-7
C_ID C00056867
InChIKey SLHHDPRKEBJRMX-YLJAVHFPSA-N
InChICode InChI=1S/C30H24O14/c31-9-1-14(33)11-5-16(35)24(42-18(11)3-9)13-7-21(37)29(40)26-23(39)22(38)17(36)8-28(26)25(13)30(29,41)44-20-6-12-15(34)2-10(32)4-19(12)43-27(20)28/h1-4,7-8,16,20,24-25,27,31-36,39-41H,5-6H2/t16-,20-,24-,25+,27+,28+,29+,30-/m1/s1
SMILES O=C1C(O)=C[C@@]23C(=C1O)[C@@]1(O)C(=O)C=C([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)[C@@H]2[C@@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
zoom in