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 CCc1oc([C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@@H]2[C@H](C)C(=O)[C@@H](C)[C@](O)(CC)[C@H]2C)c(C)c(=O)c1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSiphonariidaeSiphonaria baconi Ref.
zoom in