input word = C00060496

Metabolite InformationStructural formula
Name Scorpiocohumulinol A
Formula C20H28O7
Mw 380.18350325
CAS RN 1821029-95-1
C_ID C00060496
InChIKey PMQOEHZLMOIAMS-DGJRTGOYSA-N
InChICode InChI=1S/C20H28O7/c1-9(2)7-12-19(25)11(17(5,6)27-12)8-18(24)15(22)13(14(21)10(3)4)16(23)20(18,19)26/h7,10-12,23-26H,8H2,1-6H3/t11-,12+,18-,19+,20+/m0/s1
SMILES CC(C)=CC1OC(C)(C)C2CC3(O)C(=O)C(C(=O)C(C)C)=C(O)C3(O)C12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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