input word = C00002722

Metabolite InformationStructural formula
Name Centrolobine
Formula C20H24O3
Mw 312.17254463
CAS RN 1484-91-9
C_ID C00002722 ,
InChIKey VKLGDLFSGNHXAV-MYKRFBFLNA-N
InChICode InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m1/s1
SMILES c1(ccc(cc1)CC[C@H]1CCC[C@H](O1)c1ccc(cc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCentrolobium robustum Ref.
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