input word = C00042049

Metabolite InformationStructural formula
Name 13alpha-Acetoxypukalide
Formula C23H26O8
Mw 430.16276781
CAS RN 852459-57-5
C_ID C00042049 ,
InChIKey WJKBXPONHMNWTM-QJFXDKSWNA-N
InChICode InChI=1S/C23H26O8/c1-11(2)13-6-17(28-12(3)24)15-8-14(29-22(15)26)10-23(4)20(31-23)19-9-16(21(25)27-5)18(7-13)30-19/h8-9,13-14,17,20H,1,6-7,10H2,2-5H3/t13-,14+,17-,20+,23+/m1/s1
SMILES C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)C2O[C@@]2(C)CC2C=C(C(=O)O2)[C@H](OC(C)=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Leptogorgia rigida Ref.
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OrganismLeptogorgia rigida
ReferenceGutierrez,J.Nat.Prod.,68,(2005),614