input word = C00038594

Metabolite InformationStructural formula
Name Bipinnatin E
Formula C23H24O10
Mw 460.13694699
CAS RN 99552-25-7
C_ID C00038594 ,
InChIKey AMXQRHQMVKOSQE-ZNSZPHFHNA-N
InChICode InChI=1S/C23H24O10/c1-10(9-24)12-5-14-13(20(26)28-4)7-15(30-14)18-22(3,32-18)8-16-19-23(33-19,21(27)31-16)17(6-12)29-11(2)25/h7,9,12,16-19H,1,5-6,8H2,2-4H3/t12-,16+,17+,18-,19+,22-,23+/m1/s1
SMILES C=C(C=O)[C@@H]1Cc2oc(cc2C(=O)OC)[C@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@@H](OC(C)=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia kallos Ref.
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OrganismPseudopterogorgia kallos
ReferenceMarrero,J.Nat.Prod.,71,(2008),381