input word = C00042712

Metabolite InformationStructural formula
Name Lupulone E
Formula C25H36O5
Mw 416.25627426
CAS RN 29366-64-1
C_ID C00042712 ,
InChIKey AVOJMEPPTDIWFH-UHFFFAOYNA-N
InChICode InChI=1S/C25H36O5/c1-14(2)9-10-17-21(27)19(20(26)16(5)6)22(28)25(12-11-15(3)4)13-18(24(7,8)29)30-23(17)25/h9,11,16,18,27,29H,10,12-13H2,1-8H3/t18-,25+/m1/s1
SMILES C1(=C(C(=C2[C@](C1=O)(C[C@@H](O2)C(C)(O)C)CC=C(C)C)CC=C(C)C)O)C(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus L. Ref.
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