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@@H]12[C@]3([C@H](C[C@@H](Cc4oc([C@@H]5[C@@](C[C@@H]1OC3=O)(O5)C)cc4C(=O)OC)C(=C)C=O)OC(=O)C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia kallos Ref.
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