input word = C00012336

Metabolite InformationStructural formula
Name [3R-(3R*,3aS*,4R*,5E,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-10-(hydroxymethyl)-3,6-dimethylcyclodeca[b]furan-2(3H)-one
6alpha,14-Dihydroxy-1(10)E,4E-germacradien-12,8alpha-olide
Formula C15H22O4
Mw 266.15180919
CAS RN 127054-49-3
C_ID C00012336 ,
InChIKey UHJKINURUMDUOJ-REGNXPGSNA-N
InChICode InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h5-6,10,12-14,16-17H,3-4,7-8H2,1-2H3/b9-6+,11-5+/t10-,12+,13+,14-/m1/s1
SMILES [C@@H]12[C@@H](OC(=O)[C@@H]1C)C/C(=C\CC/C(=C/[C@@H]2O)/C)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSchkuhria pinnata Ref.
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OrganismSchkuhria pinnata
ReferenceGanzer,Phytochem.,29,(1990),535