input word = C00013516

Metabolite InformationStructural formula
Name Isomacarangin
8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C25H26O6
Mw 422.17293856
CAS RN 229470-28-4
C_ID C00013516 ,
InChIKey IGGXIQKUMBVBRV-CHHVJCJISA-N
InChICode InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20(28)21-22(29)23(30)24(31-25(18)21)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7-
SMILES CC(C)=CCC/C(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMacaranga schweinfurthii Ref.
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