input word = C00042310

Metabolite InformationStructural formula
Name Briaranolide H
(-)-Briaranolide H
Formula C31H42O11
Mw 590.27271219
CAS RN 866087-92-5
C_ID C00042310 ,
InChIKey IKFPLXHSMAIESM-SGYDHFIXNA-N
InChICode InChI=1S/C31H42O11/c1-9-11-24(35)39-20-14-16(3)15-22-31(30(8,42-31)28(36)40-22)27(38-19(6)33)25-17(4)12-13-21(37-18(5)32)29(25,7)26(20)41-23(34)10-2/h12,15,20-22,25-27H,9-11,13-14H2,1-8H3/b16-15-/t20-,21-,22-,25+,26-,27-,29-,30-,31-/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)CCC)OC(=O)CC)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