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=C(C(=O)OC)[C@H]1C[C@H](OC(C)=O)[C@]23O[C@@H]2[C@@H](C[C@]2(C)O[C@@H]2c2cc(C)c(o2)[C@@H]1OC(C)=O)OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia bipinnata Ref.
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