input word = C00019817

Metabolite InformationStructural formula
Name Citrumarin C
Formula C33H32O7
Mw 540.21480338
CAS RN 147816-72-6
C_ID C00019817 ,
InChIKey ZPFUGLLYQXUCTE-UHFFFAOYNA-N
InChICode InChI=1S/C33H32O7/c1-7-31(2,3)27-29-21(9-11-25(36)38-29)28-26-20(16-32(4,5)39-30(26)27)17-33(6,40-28)13-12-18-14-19-8-10-24(35)37-23(19)15-22(18)34/h7-15,20,34H,1,16-17H2,2-6H3/b13-12-/t20-,33+/m1/s1
SMILES C=CC(C)(C)c1c2c3c(c4ccc(=O)oc14)OC(C)(C=Cc1cc4ccc(=O)oc4cc1O)CC3CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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