input word = C00044286

Metabolite InformationStructural formula
Name Presengulone
(+)-Presengulone
Formula C32H26O10
Mw 570.15259705
CAS RN 212067-73-7
C_ID C00044286 ,
InChIKey KNJWIJRELUDGDV-UHFFFAOYNA-N
InChICode InChI=1S/C32H26O10/c1-12-5-15-23(16(33)6-12)31(39)25-17(34)9-20(42-4)28(36)27(25)24(15)26-19(41-3)8-13-7-14-10-32(2,40)11-18(35)21(14)29(37)22(13)30(26)38/h5-9,33,37-40H,10-11H2,1-4H3/t32-/m0/s1
SMILES COC1=CC(=O)c2c(c(-c3c(OC)cc4cc5c(c(O)c4c3O)C(=O)CC(C)(O)C5)c3cc(C)cc(O)c3c2O)C1=O
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