input word = C00044205

Metabolite InformationStructural formula
Name Isosengulone
Formula C32H22O9
Mw 550.1263823
CAS RN 173693-55-5
C_ID C00044205 ,
InChIKey FJWJLZZKPGNFMF-UHFFFAOYSA-N
InChICode InChI=1S/C32H22O9/c1-12-5-18-24(22(35)6-12)31(38)27-19(30(18)37)11-23(41-4)28(32(27)39)25-16-8-14(40-3)9-21(34)15(16)10-17-20(33)7-13(2)29(36)26(17)25/h5-11,34-35,39H,1-4H3
SMILES c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)c1c2c(cc3c1cc(cc3O)OC)C(=O)C=C(C2=O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSenna sophera Ref.
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OrganismSenna sophera
ReferenceAlemayehu,Phytochem.,48,(1998),699