input word = C00049430

Metabolite InformationStructural formula
Name Bipinnatin A
Formula C25H28O11
Mw 504.16316174
CAS RN 99552-28-0
C_ID C00049430 ,
InChIKey SETTUTVEWZFWRZ-BKMIKORLNA-N
InChICode InChI=1S/C25H28O11/c1-10-7-15-20-24(5,35-20)9-16-21-25(36-21,23(29)34-16)17(31-12(3)26)8-14(11(2)22(28)30-6)19(18(10)33-15)32-13(4)27/h7,14,16-17,19-21H,2,8-9H2,1,3-6H3/t14-,16-,17+,19-,20-,21?,24+,25+/m1/s1
SMILES [C@]12([C@@H](c3oc([C@@H]([C@H](C[C@@H]([C@]45[C@@H]([C@@H](C1)OC4=O)O5)OC(=O)C)C(=C)C(=O)OC)OC(=O)C)c(c3)C)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia bipinnata Ref.
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