input word = C00002580

Metabolite InformationStructural formula
Name Toxicarol
alpha-Toxicarol
Toxicarin
Formula C23H22O7
Mw 410.13655306
CAS RN 82-09-7
C_ID C00002580 ,
InChIKey JLTNCZQNGBLBGO-QINVSXPYNA-N
InChICode InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1
SMILES c12cc(c3c(c1C=CC(O2)(C)C)O[C@H]1[C@@H](C3=O)c2c(cc(c(c2)OC)OC)OC1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDerris elliptica Ref.
PlantaeFabaceaeDerris malaccensis Ref.
PlantaeFabaceaeDerris trifoliata Ref.
PlantaeFabaceaeMillettia taiwaniana Ref.
PlantaeFabaceaeTephrosia obovata Ref.
PlantaeFabaceaeTephrosia toxicaria Ref.
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