input word = C00019816

Metabolite InformationStructural formula
Name Citrumarin B
Formula C33H32O7
Mw 540.21480338
CAS RN 147816-71-5
C_ID C00019816 ,
InChIKey UYRKZIRGOMUSBM-UHFFFAOYNA-N
InChICode InChI=1S/C33H32O7/c1-7-31(2,3)26-29-21(10-13-24(36)38-29)28-25-19(16-32(4,5)39-30(25)26)17-33(6,40-28)15-14-20-22(34)11-8-18-9-12-23(35)37-27(18)20/h7-15,19,34H,1,16-17H2,2-6H3/b15-14+/t19-,33-/m0/s1
SMILES C=CC(C)(C)c1c2c3c(c4ccc(=O)oc14)OC(C)(C=Cc1c(O)ccc4ccc(=O)oc14)CC3CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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