input word = C00038571

Metabolite InformationStructural formula
Name Baconipyrone A
Formula C29H44O8
Mw 520.30361838
CAS RN 123003-45-2
C_ID C00038571 ,
InChIKey NBQRYMOOBSMQSG-IJUSHANGNA-N
InChICode InChI=1S/C29H44O8/c1-11-21-13(3)22(30)15(5)26(36-21)16(6)23(31)14(4)24(32)18(8)28(34)37-27-17(7)25(33)19(9)29(35,12-2)20(27)10/h14,16-20,24,27,32,35H,11-12H2,1-10H3/t14-,16-,17+,18-,19+,20-,24-,27+,29+/m0/s1
SMILES [C@@H]1(OC(=O)[C@H]([C@H]([C@H](C(=O)[C@@H](c2c(c(=O)c(c(o2)CC)C)C)C)C)O)C)[C@@H](C(=O)[C@H]([C@@]([C@H]1C)(CC)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSiphonariidaeSiphonaria baconi Ref.
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OrganismSiphonaria baconi
ReferenceNapolitano,J.Nat.Prod.,71,(2008),281