input word = C00009180

Metabolite InformationStructural formula
Name Robinetinidol-(4alpoha->2')-robinetin
Formula C30H22O13
Mw 590.10604079
CAS RN 161874-11-9
C_ID C00009180 ,
InChIKey KGCPHQVZVPJIOY-OCUAELMJNA-N
InChICode InChI=1S/C30H22O13/c31-11-1-3-13-19(7-11)42-29(10-5-16(33)24(37)17(34)6-10)27(40)21(13)22-15(9-18(35)25(38)26(22)39)30-28(41)23(36)14-4-2-12(32)8-20(14)43-30/h1-9,21,27,29,31-35,37-41H/t21-,27-,29+/m0/s1
SMILES [C@@H]1([C@@H]([C@H](Oc2c1ccc(c2)O)c1cc(c(c(c1)O)O)O)O)c1c(c2c(c(=O)c3c(o2)cc(cc3)O)O)cc(c(c1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeRobinia pseudoacacia Ref.
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