input word = C00009175

Metabolite InformationStructural formula
Name Robinetinidol-(4alpha->2')-robinetinidol-4beta-ol
Formula C30H26O13
Mw 594.13734092
CAS RN 161874-09-5
C_ID C00009175 ,
InChIKey JCTRYQPQWQYQGS-FMKIKZHQNA-N
InChICode InChI=1S/C30H26O13/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/h1-9,21,23,27-41H/t21-,23-,27-,28-,29+,30+/m0/s1
SMILES Oc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(C2Oc3cc(O)ccc3[C@H](O)[C@@H]2O)cc(O)c(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeRobinia pseudoacacia Ref.
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