input word = C00042307

Metabolite InformationStructural formula
Name Briaranolide E
(-)-Briaranolide E
Formula C28H36O11
Mw 548.22576199
CAS RN 866087-89-0
C_ID C00042307 ,
InChIKey ZWAKJZFEDLSNFY-WYWKNYTBNA-N
InChICode InChI=1S/C28H36O11/c1-13-11-19(34-15(3)29)23(36-17(5)31)26(7)20(35-16(4)30)10-9-14(2)22(26)24(37-18(6)32)28-21(12-13)38-25(33)27(28,8)39-28/h9,12,19-24H,10-11H2,1-8H3/b13-12-/t19-,20-,21-,22+,23-,24-,26-,27-,28-/m0/s1
SMILES C1=C([C@H]2[C@]([C@H](C1)OC(=O)C)([C@H]([C@H](C/C(=C\[C@H]1[C@]3([C@H]2OC(=O)C)[C@](C(=O)O1)(O3)C)/C)OC(=O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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OrganismBriareum sp.
ReferenceHoshino,J.Nat.Prod.,68,(2005),1328