input word = C00048637

Metabolite InformationStructural formula
Name Briaexcavatin S
(+)-Briaexcavatin S
Formula C26H36O12
Mw 540.22067662
CAS RN 1124328-10-4
C_ID C00048637 ,
InChIKey FVRBJFJBALEKEF-PLOQLSLUNA-N
InChICode InChI=1S/C26H36O12/c1-11-8-19-26(25(7,38-26)22(32)37-19)21(31)20-23(5,17(35-13(3)28)9-15(11)34-12(2)27)18(36-14(4)29)10-16(30)24(20,6)33/h8,15-21,30-31,33H,9-10H2,1-7H3/b11-8-/t15-,16+,17+,18+,19+,20-,21+,23+,24-,25+,26+/m1/s1
SMILES [C@H]1([C@@]23[C@H](/C=C(\[C@@H](C[C@@H]([C@@]4([C@@H]1[C@]([C@H](C[C@@H]4OC(=O)C)O)(C)O)C)OC(=O)C)OC(=O)C)/C)OC(=O)[C@@]2(O3)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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OrganismBriareum excavatum
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165