input word = C00047055

Metabolite InformationStructural formula
Name Isospongiaquinone
(+)-Isospongiaquinone
Formula C22H30O4
Mw 358.21440945
CAS RN 69672-66-8
C_ID C00047055 ,
InChIKey LKNAVZKSKJJHQH-WDWBWIJVNA-N
InChICode InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h7,11,14,18,24H,6,8-10,12H2,1-5H3/t14-,18+,21+,22+/m0/s1
SMILES COC1=CC(=O)C(O)=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]23)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios sp. Ref.
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