input word = C00045700

Metabolite InformationStructural formula
Name Briaexcavatolide L
(-)-Briaexcavatolide L
Formula C20H44O13
Mw 492.27819149
CAS RN 334831-90-2
C_ID C00045700 ,
InChIKey ZSLFBBPCCHJUKI-UGLDAMNENA-N
InChICode InChI=1S/C30H44O13/c1-9-10-23(35)42-20-11-14(2)12-22-30(38,29(8,37)27(36)43-22)26(41-18(6)33)24-15(3)19(34)13-21(39-16(4)31)28(24,7)25(20)40-17(5)32/h12,15,19-22,24-26,34,37-38H,9-11,13H2,1-8H3/b14-12-/t15-,19-,20-,21-,22-,24+,25-,26-,28-,29-,30-/m0/s1
SMILES C\1=C(\C[C@@H]([C@@H]([C@@]2([C@@H]([C@@H]([C@]3([C@H]1OC(=O)[C@]3(C)O)O)OC(=O)C)[C@H]([C@H](C[C@@H]2OC(=O)C)O)C)C)OC(=O)C)OC(=O)CCC)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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OrganismBriareum excavatum
ReferenceSung,J.Nat.Prod.,64,(2001),318