input word = C00013560

Metabolite InformationStructural formula
Name 4-Demethylcalycopterone
4-Hydroxycalycopterone
Formula C34H32O10
Mw 600.19954724
CAS RN 156370-80-8
C_ID C00013560 ,
InChIKey FYCQGQNQVPLKBH-UHFFFAOYNA-N
InChICode InChI=1S/C34H32O10/c1-38-30-27(37)25-28(24-21(35)17-23(42-29(24)30)19-13-9-6-10-14-19)44-34-20(15-16-22(43-34)18-11-7-5-8-12-18)26(36)31(39-2)32(40-3)33(25,34)41-4/h5-15,21-23,35,37H,16-17H2,1-4H3/t21-,22-,23-,33-,34-/m1/s1
SMILES C1(=C(C(=O)C2=CC[C@@H](O[C@@]32[C@]1(c1c(O3)c2c(c(c1O)OC)O[C@H](C[C@H]2O)c1ccccc1)OC)c1ccccc1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCalycopteris floribunda Ref.
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OrganismCalycopteris floribunda
ReferenceWall,J.Med.Chem.,37,(1994),1465