input word = C00012914

Metabolite InformationStructural formula
Name Septuplinolide
[3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-Decahydro-5-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Formula C15H22O3
Mw 250.15689457
CAS RN 109031-08-5
C_ID C00012914 ,
InChIKey ZALRIXVWAYTYQJ-LHODOWMJNA-N
InChICode InChI=1S/C15H22O3/c1-9-10-7-12-14(2,5-4-6-15(12,3)17)8-11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15+/m1/s1
SMILES [C@]1([C@H]2[C@@](CCC1)(C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea septuplinervia Ref.
PlantaeAsteraceaeFlourensia riparia Grisebach Ref.
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OrganismFlourensia riparia Grisebach
ReferenceUriburu,Phytochem.,65,(2004),2039