input word = C00038574

Metabolite InformationStructural formula
Name Baconipyrone D
Formula C28H42O8
Mw 506.28796832
CAS RN 123003-48-5
C_ID C00038574 ,
InChIKey ZPGQAJZQPJJPGZ-WDUFTCILNA-N
InChICode InChI=1S/C28H42O8/c1-11-21(29)14(4)26(15(5)22(30)12-2)36-28(34)19(9)25(33)16(6)24(32)18(8)27-17(7)23(31)13(3)20(10)35-27/h14-16,18-19,25-26,33H,11-12H2,1-10H3/t14-,15+,16-,18-,19-,25-,26-/m0/s1
SMILES O(C(=O)[C@H]([C@H]([C@H](C(=O)[C@@H](c1c(c(=O)c(c(o1)C)C)C)C)C)O)C)[C@H]([C@@H](C(=O)CC)C)[C@@H](C)C(=O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSiphonariidaeSiphonaria baconi Ref.
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