input word = C00042798

Metabolite InformationStructural formula
Name Nymphaeol B
Formula C25H28O6
Mw 424.18858863
CAS RN 73676-37-6
C_ID C00042798 ,
InChIKey ILCMVLORKWIOOH-RZIRMAKJNA-N
InChICode InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-17(9-10-19(27)25(18)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
SMILES CC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMacaranga tanarius (L.) Muell .Arg. Ref.
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