input word = C00031781

Metabolite InformationStructural formula
Name Excoecarin V1
(-)-Excoecarin V1
Formula C20H30O4
Mw 334.21440945
CAS RN 677709-23-8
C_ID C00031781 ,
InChIKey JVFZGJYTYHORIN-KTUZNLTJNA-N
InChICode InChI=1S/C20H30O4/c1-16-5-3-14-18(10-16,8-7-16)6-4-13-17(2,11-21)20(23)15(22)9-19(13,14)12-24-20/h7-8,13-15,21-23H,3-6,9-12H2,1-2H3/t13-,14-,15+,16-,17-,18+,19+,20-/m0/s1
SMILES C[C@@]12C=C[C@]3(CC[C@@H]4[C@@]5(CO[C@@](O)([C@H](O)C5)[C@@]4(C)CO)[C@H]3CC1)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeExcoecaria agallocha Ref.
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