input word = C00002832

Metabolite InformationStructural formula
Name 2-Isoprenylemodin
Formula C20H18O5
Mw 338.11542369
CAS RN 82345-58-2
C_ID C00002832 ,
InChIKey WQTDARJAYXTHNU-UHFFFAOYSA-N
InChICode InChI=1S/C20H18O5/c1-9(2)4-5-11-14(21)8-13-17(19(11)24)20(25)16-12(18(13)23)6-10(3)7-15(16)22/h4,6-8,21-22,24H,5H2,1-3H3
SMILES c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)CC=C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaePsorospermum febrifugum Ref.
PlantaeHypericaceaePsorospermum glaberrimum Ref.
PlantaeHypericaceaeVismia guaramirangae Ref.
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OrganismPsorospermum glaberrimum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43