input word = C00006414

Metabolite InformationStructural formula
Name Swertifrancheside
Formula C35H28O17
Mw 720.13264947
CAS RN 155740-03-7
C_ID C00006414 ,
InChIKey JAANJQNFIJSRTK-FFFCKFLVNA-N
InChICode InChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1
SMILES COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)c([C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc45)cc(O)c3oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia franchetiana Ref.
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