input word = C00007081

Metabolite InformationStructural formula
Name Isoxanthohumol(Helichrysum)
Formula C21H22O4
Mw 338.15180919
CAS RN 72247-79-1
C_ID C00007081 ,
InChIKey VNKGJUSYZMFRJX-ZRDIBKRKSA-N
InChICode InChI=1S/C21H22O4/c1-14(2)9-11-16-19(25-3)13-18(23)20(21(16)24)17(22)12-10-15-7-5-4-6-8-15/h4-10,12-13,23-24H,11H2,1-3H3/b12-10+
SMILES c1c(cccc1)/C=C/C(=O)c1c(cc(c(c1O)CC=C(C)C)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelichrysum cymosum Ref.
PlantaeAsteraceaeHelichrysum tenuifolium Ref.
PlantaeAsteraceaePleiotaxis sp. Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
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