input word = C00047231

Metabolite InformationStructural formula
Name Eubotriol
Formula C20H32O3
Mw 320.23514489
CAS RN 42932-76-3
C_ID C00047231 ,
InChIKey SMJRKTGCQAVGTN-CDYUPZGZNA-N
InChICode InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17+,18-,19+,20-/m1/s1
SMILES C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@](C)(CO)[C@H]4C[C@H](O)[C@]3(C2)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis arguta Ref.
PlantaeLabiataeSideritis euboea Ref.
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OrganismSideritis arguta
ReferenceErtas,J.Nat.Prod.,72,(2009),500