input word = C00057534

Metabolite InformationStructural formula
Name Raphanusol A
Formula C34H42O19
Mw 754.23202916
CAS RN 74565-72-3
C_ID C00057534
InChIKey BNNDGKUSPRXSPJ-KQQUZDAGSA-N
InChICode InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-22(14-49-33-30(43)28(41)27(40)21(13-35)50-33)51-34(31(44)29(32)42)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+
SMILES COc1cc(/C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
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