input word = C00029855

Metabolite InformationStructural formula
Name Briaexcavatin O
Formula C30H42O13
Mw 610.26254143
CAS RN 1061320-43-1
C_ID C00029855 ,
InChIKey GRANEUVTBSLGKC-ZWDYLTDKNA-N
InChICode InChI=1S/C30H42O13/c1-9-10-21(36)42-24-23(38-15(4)31)13(2)11-20-30(29(8,43-30)27(37)41-20)25(39-16(5)32)22-14(3)18(34)12-19(35)28(22,7)26(24)40-17(6)33/h11,14,18-20,22-26,34-35H,9-10,12H2,1-8H3/b13-11-/t14-,18-,19-,20-,22+,23+,24-,25-,26-,28-,29-,30-/m0/s1
SMILES [C@@H]1(C[C@@H]([C@]2([C@H]([C@H]1C)[C@@H]([C@@]13[C@H](/C=C(\[C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)CCC)OC(=O)C)/C)OC(=O)[C@@]1(O3)C)OC(=O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
zoom in



OrganismBriareum excavatum
ReferenceSung,Chem.Pharm.Bull.,56,(2008),930