input word = C00049434

Metabolite InformationStructural formula
Name Bipinnatin I
Formula C25H28O10
Mw 488.16824712
CAS RN 134455-96-2
C_ID C00049434 ,
InChIKey DORQEQXBYZYXMV-UHFFFAOYNA-N
InChICode InChI=1S/C25H28O10/c1-11-7-19-22-25(5,35-22)10-15-8-17(24(29)33-15)18(31-13(3)26)9-16(12(2)23(28)30-6)21(20(11)34-19)32-14(4)27/h7-8,15-16,18,21-22H,2,9-10H2,1,3-6H3/t15-,16+,18+,21+,22+,25-/m1/s1
SMILES [C@]12(C[C@H]3C=C([C@H](C[C@H]([C@@H](c4oc([C@@H]1O2)cc4C)OC(=O)C)C(=C)C(=O)OC)OC(=O)C)C(=O)O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia bipinnata Ref.
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