input word = C00038322

Metabolite InformationStructural formula
Name 7'-O-Demethylcephaeline
Formula C27H36N2O4
Mw 452.26750765
CAS RN 261515-31-5
C_ID C00038322 ,
InChIKey HGQNZTBYUKKJLH-DNDCOMKGNA-N
InChICode InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22+,23-/m0/s1
SMILES c1(c(cc2c(c1)[C@H]1N(CC2)C[C@@H]([C@H](C1)C[C@H]1NCCc2c1cc(c(c2)O)O)CC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaePsychotria burucana Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
PlantaeRubiaceaePsychotria klugii Ref.
--Carapichea affinis Ref.
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