input word = C00049435

Metabolite InformationStructural formula
Name Bipinnatin J
(-)-Bipinnatin J
Formula C20H24O4
Mw 328.16745925
CAS RN 201742-79-2
C_ID C00049435 ,
InChIKey RCFMTOJVVOOMTO-LQBLEDBSNA-N
InChICode InChI=1S/C20H24O4/c1-11(2)17-6-5-14-10-16(24-20(14)22)8-12(3)7-15-9-13(4)19(23-15)18(17)21/h7,9-10,16-18,21H,1,5-6,8H2,2-4H3/b12-7-/t16-,17+,18-/m0/s1
SMILES C\1(=C\c2oc([C@H]([C@H](CCC3=C[C@H](C1)OC3=O)C(=C)C)O)c(c2)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia bipinnata Ref.
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