input word = C00038595

Metabolite InformationStructural formula
Name Bipinnatin K
(-)-Bipinnatin K
Formula C23H26O9
Mw 446.15768243
CAS RN 1020661-83-9
C_ID C00038595 ,
InChIKey GXPJROHGAPZOAA-HIUAZFPXNA-N
InChICode InChI=1S/C23H26O9/c1-10-6-17-20(28-5)23(4,27)9-13-7-15(22(26)30-13)16(29-12(3)24)8-14-11(2)21(25)32-19(14)18(10)31-17/h6-7,13-14,16,19-20,27H,2,8-9H2,1,3-5H3/t13-,14+,16-,19+,20-,23-/m1/s1
SMILES o1c2[C@@H]3[C@@H](C[C@H](C4=C[C@H](C[C@@]([C@@H](c1cc2C)OC)(C)O)OC4=O)OC(=O)C)C(=C)C(=O)O3
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