input word = C00027472

Metabolite InformationStructural formula
Name Protoemetine
Formula C19H27NO3
Mw 317.19909374
CAS RN 549-91-7
C_ID C00027472 ,
InChIKey BBVFHYCHEWCGBH-RMUCCDQDNA-N
InChICode InChI=1S/C19H27NO3/c1-4-13-12-20-7-5-15-10-18(22-2)19(23-3)11-16(15)17(20)9-14(13)6-8-21/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3/t13-,14-,17-/m0/s1
SMILES c1(c(cc2c(c1)[C@H]1N(CC2)C[C@@H]([C@H](C1)CC=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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OrganismCarapichea affinis
ReferenceD.Martins et al.,Molecules,20,(2015),13422-13495

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