input word = C00055778

Metabolite InformationStructural formula
Name cis-Sesquisabinene hydrate
Formula C15H26O
Mw 222.19836545
CAS RN 58319-05-4
C_ID C00055778
InChIKey IRDFGGRWKUKANK-KBUPBQIOSA-N
InChICode InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,14-,15-/m1/s1
SMILES CC(C)=CCC[C@@H](C)[C@]12CC[C@@](C)(O)[C@H]1C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum macrophyllum Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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OrganismTanacetum macrophyllum
ReferencePolatoglu, K. et al., J. Oleo Sci., 64, (2015), 881-893.