input word = C00048501

Metabolite InformationStructural formula
Name Ocophyllol A
(-)-Ocophyllol A
Formula C20H22O5
Mw 342.14672381
CAS RN 1189119-90-1
C_ID C00048501 ,
InChIKey ARFBOYDNJXQGTO-HTQZLDBENA-N
InChICode InChI=1S/C20H22O5/c1-4-5-13-9-20(23-3)11(2)16(17(18(13)21)19(20)22)12-6-7-14-15(8-12)25-10-24-14/h4,6-9,11,16-17,19,22H,1,5,10H2,2-3H3/t11-,16+,17-,19-,20+/m1/s1
SMILES [C@]12(C=C(C(=O)[C@@H]([C@@H]([C@H]1C)c1ccc3c(c1)OCO3)[C@H]2O)CC=C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Octea macrophylla Ref.
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