input word = C00055685

Metabolite InformationStructural formula
Name 4,5-di-epi-Aristolochene
Formula C15H24
Mw 204.18780077
CAS RN 54868-40-5
C_ID C00055685
InChIKey YONHOSLUBQJXPR-GZBFAFLISA-N
InChICode InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13+,15+/m0/s1
SMILES C=C(C)[C@@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDittrichia graveolens Ref.
PlantaeMyrtaceaePsidium guajava Ref.
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OrganismDittrichia graveolens
ReferenceMitic, V. et al., Chem. Biodiv., 13, (2016), 85-90.