input word = C00029881

Metabolite InformationStructural formula
Name Calarene
(+)-1(10)-Aristolene
Formula C15H24
Mw 204.18780077
CAS RN 17334-55-3
C_ID C00029881 ,
InChIKey MBIPADCEHSKJDQ-ZEYTXOKVNA-N
InChICode InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12-,13+,15+/m1/s1
SMILES C1CC=C2[C@]([C@@H]1C)([C@H]1[C@@H](CC2)C1(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
PlantaeAcoraceaeAcorus calanus L. Ref.
PlantaeAsteraceaeCentaurea armena Ref.
PlantaeAsteraceaeCentaurea sessilis Ref.
PlantaeBurseraceaeCommiphora holtziana Ref.
PlantaeCalypogeiaCalypogeia suecica Ref.
PlantaeLabiataeSatureja subspicata Ref.
PlantaeValerianaceaeNardostachys chinensis Ref.
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OrganismAcorus calamus
ReferenceYamamura,Tetrahedron,27,(1971),5419

Iguchi,Tetrahedron Lett.,(1982),2759