input word = C00047770

Metabolite InformationStructural formula
Name Buergericic acid
Formula C30H48O6
Mw 504.34508927
CAS RN 389057-16-3
C_ID C00047770 ,
InChIKey IFIQVSCCFRXSJV-FARZFMLTNA-N
InChICode InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
SMILES [C@@H]1([C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@H]([C@H]([C@@]1(CO)C)O)O)C)C)C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
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OrganismRubus ellipticus var.obcordatus
ReferenceLi,J.Nat.Prod.,72,(2009),1755