input word = C00060501

Metabolite InformationStructural formula
Name Dicyclohumulinol A
Formula C21H30O7
Mw 394.19915331
CAS RN 1821030-00-5
C_ID C00060501
InChIKey KUROFVLWBFKAFT-HHPIHSBPSA-N
InChICode InChI=1S/C21H30O7/c1-10(2)7-12-13(19(5,6)26)9-20(27)17(24)15(14(22)8-11(3)4)18(25)21(20,28)16(12)23/h7,11-13,25-28H,8-9H2,1-6H3/t12?,13?,20-,21+/m0/s1
SMILES CC(C)=CC1C(=O)C2(O)C(O)=C(C(=O)CC(C)C)C(=O)C2(O)CC1C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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