input word = C00053700

Metabolite InformationStructural formula
Name posthumulone
Formula C19H26O5
Mw 334.17802394
CAS RN 469-03-4
C_ID C00053700
InChIKey QGQPQHFFISNKCW-UHFFFAOYSA-N
InChICode InChI=1S/C19H26O5/c1-6-14(20)15-16(21)13(8-7-11(2)3)17(22)19(24,18(15)23)10-9-12(4)5/h7,9,21,23-24H,6,8,10H2,1-5H3
SMILES OC1=C(C/C=C(C)/C)C(C(O)(C/C=C(C)C)C(O)=C1C(CC)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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