input word = C00053961

Metabolite InformationStructural formula
Name Camellianin B
Formula C27H30O14
Mw 578.16355567
CAS RN 109232-76-0
C_ID C00053961
InChIKey LRFDUPNLCDXZOE-QIZGABLASA-N
InChICode InChI=1S/C27H30O14/c1-10-20(32)21(33)23(35)26(37-10)41-25-18(9-28)40-27(24(36)22(25)34)39-17-7-13(30)6-16-19(17)14(31)8-15(38-16)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23+,24+,25+,26?,27+/m0/s1
SMILES C[C@@H]1OC(O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3cc(O)cc4oc(-c5ccc(O)cc5)cc(=O)c34)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
zoom in