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 O=c1c(O)c(-c2cc(O)c(O)c(O)c2[C@@H]2c3ccc(O)cc3O[C@H](c3cc(O)c(O)c(O)c3)[C@H]2O)oc2cc(O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeRobinia pseudoacacia Ref.
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