input word = C00024536

Metabolite InformationStructural formula
Name Haplocidine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 2671-46-7
C_ID C00024536 ,
InChIKey OZHFIQIIDYNXAD-SYYJJEMDNA-N
InChICode InChI=1S/C21H26N2O3/c1-14(24)23-17-6-8-19-7-3-11-22-12-9-20(17,21(19,22)26-13-10-19)15-4-2-5-16(25)18(15)23/h2,4-5,17,25H,3,6-13H2,1H3/t17-,19-,20-,21+/m1/s1
SMILES c1cc(c2c(c1)[C@]13[C@H](N2C(=O)C)CC[C@]24[C@]1(N(CCC2)CC3)OCC4)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma marcgravianum Ref.
PlantaeApocynaceaeHaplophyton cimicidum A.DC. Ref.
PlantaeApocynaceaeVallesia glabra Ref.
PlantaeRutaceaeHaplophyllum cimicidum Ref.
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