input word = C00035519

Metabolite InformationStructural formula
Name Adlupulone
Formula C26H38O4
Mw 414.2770097
CAS RN 35049-54-8
C_ID C00035519 ,
InChIKey QXPOWGXRDUFAQW-UHFFFAOYNA-N
InChICode InChI=1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3/t19-/m1/s1
SMILES C1(=C(C(=C(C(=O)C1(CC=C(C)C)CC=C(C)C)C(=O)[C@@H](CC)C)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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