input word = C00042763

Metabolite InformationStructural formula
Name Neoavarol
Formula C21H30O2
Mw 314.2245802
CAS RN 129443-87-4
C_ID C00042763 ,
InChIKey FBMAHDGTCDISLJ-ADLBDZANNA-N
InChICode InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20+,21+/m0/s1
SMILES C=C1CCC[C@H]2[C@](C)(Cc3cc(O)ccc3O)[C@@H](C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dysidea sp. Ref.
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