input word = C00055657

Metabolite InformationStructural formula
Name 3-deoxysappanone B
Formula C16H14O5
Mw 286.08412356
CAS RN 113122-54-6
C_ID C00055657
InChIKey KCUXSQJYIWEGRG-SNVBAGLBSA-N
InChICode InChI=1S/C16H14O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-4,6-7,10,17-19H,5,8H2/t10-/m1/s1
SMILES OC1=CC=C2C(OC[C@@H](CC3=CC=C(O)C(O)=C3)C2=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia sappan Ref.
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OrganismCaesalpinia sappan
ReferenceSun, Y. N. et al., Molecules, 21, (2016), 480.