input word = C00031500

Metabolite InformationStructural formula
Name 13-Sulfo-dihydroreynosin
Formula C15H22O6S
Mw 330.11370917
CAS RN 866006-09-9
C_ID C00031500 ,
InChIKey ATPWMNVNRJVOBH-KCMRMCOANA-N
InChICode InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h9-13,16H,1,3-7H2,2H3,(H,18,19,20)/t9-,10-,11+,12+,13-,15-/m0/s1
SMILES [C@H]12[C@@H](CC[C@@]3([C@@H]1C(=C)CC[C@H]3O)C)[C@@H](C(=O)O2)CS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea lappa Ref.
zoom in



OrganismSaussurea lappa
ReferenceYin,Chem.Pharm.Bull.,53,(2005),841