input word = C00013569

Metabolite InformationStructural formula
Name (+)-Brothenolide
Brothenolide
(3aR,5aR,6aS,7aS,7bS,7cS)-Decahydro-5a,7a-dimethyl-3-methylenecycloprop[2,3]indeno[4,5-b]furan-2(3H)-one
Formula C15H20O2
Mw 232.14632988
CAS RN 76045-51-7
C_ID C00013569 ,
InChIKey TVQQAFUTFFHGNO-ATPAJWLYNA-N
InChICode InChI=1S/C15H20O2/c1-8-10-4-5-14(2)6-9-7-15(9,3)12(14)11(10)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10-,11+,12+,14-,15+/m1/s1
SMILES [C@H]12CC[C@]3([C@H]([C@H]1OC(=O)C2=C)[C@@]1([C@H](C3)C1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJubulaceaeFrullania brotheri Ref.
PlantaeJubulaceaeFrullania convoluta Ref.
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OrganismFrullania convoluta
ReferenceFlegel,Phytochem.,52,(1999),1633