input word = C00018936

Metabolite InformationStructural formula
Name Neocandenatone
2'-Hydroxy-4'-methoxy-4''-phenylpyrano[2'',3'':7,6]-6''-ylidene-5'''-hydroxy-2'''-methoxy-2''',5'''-cyclohexadien-1'''-one-isoflavan
Formula C32H26O7
Mw 522.16785319
CAS RN 714962-91-1
C_ID C00018936 ,
InChIKey KVROCRIOSIBEDH-GDWJVWIDNA-N
InChICode InChI=1S/C32H26O7/c1-36-21-8-9-22(26(33)12-21)20-10-19-11-24-23(18-6-4-3-5-7-18)14-31(39-32(24)16-29(19)38-17-20)25-13-27(34)28(35)15-30(25)37-2/h3-9,11-16,20,33-34H,10,17H2,1-2H3/b31-25-/t20-/m0/s1
SMILES C\1(=C/2\C(=CC(=O)C(=C2)O)OC)/C=C(c2c(O1)cc1c(c2)C[C@@H](CO1)c1ccc(cc1O)OC)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia congestiflora Ref.
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