input word = C00059234

Metabolite InformationStructural formula
Name 3-[2-(3-Hydroxyphenyl)ethyl]-4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol, dihydrochloride
Formula C30H42Cl2N2O3
Mw 548.25724864
CAS RN 112431-33-1
C_ID C00059234
InChIKey SFFVOQLDCSAJOS-UHFFFAOYSA-N
InChICode InChI=1S/C30H40N2O3.2ClH/c33-27-12-8-11-25(23-27)13-15-28-26(14-16-29(34)30(28)35)18-22-32-20-7-2-1-6-19-31-21-17-24-9-4-3-5-10-24;;/h3-5,8-12,14,16,23,31-35H,1-2,6-7,13,15,17-22H2;2*1H
SMILES Cl.Cl.Oc1cccc(CCc2c(CCNCCCCCCNCCc3ccccc3)ccc(O)c2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaricaceaeCarica papaya Ref.
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