input word = C00011977

Metabolite InformationStructural formula
Name Isoarbutifolin
Formula C20H28O5
Mw 348.193674
CAS RN 80442-34-8
C_ID C00011977 ,
InChIKey ZBFPZPSNIZJEAN-AVBKTSBTNA-N
InChICode InChI=1S/C20H28O5/c1-7-20(6)9-14(24-15(22)8-11(2)3)16-13(5)19(23)25-18(16)17(20)12(4)10-21/h7,11,14,16-18,21H,1,4-5,8-10H2,2-3,6H3/t14-,16+,17+,18-,20+/m0/s1
SMILES [C@H]1([C@@H]2[C@@H]([C@H]([C@@](C1)(C=C)C)C(=C)CO)OC(=O)C2=C)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea arbutifolia Ref.
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