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CHEBI:138656 - rhizathalene A

ChEBI IDCHEBI:138656
ChEBI Namerhizathalene A
Stars
DefinitionA carbotricyclic compound and diterpene that is 1',2',3',3a',5',6',7',7a'-octahydrospiro[cyclohex-3-ene-1,4'-indene] which is substituted by methyl groups at the 4, 5', and 7a' positions, and by an isopropenyl group at the 3' position. It is produced in the stele of Arabidopsis roots and contributes to the direct defense against root herbivores.
Last Modified4 December 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12[C@@H](C(=C)C)CC[C@]1(C)CC[C@@H](C)[C@]21CC=C(C)CC1
InChIInChI=1S/C20H32/c1-14(2)17-9-11-19(5)10-8-16(4)20(18(17)19)12-6-15(3)7-13-20/h6,16-18H,1,7-13H2,2-5H3/t16-,17-,18+,19+,20-/m1/s1
InChIKeyIIMQNFIZNZKEMW-SWBPCFCJSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) root (BTO:0001188) PubMed (23512856)
ChEBI Ontology
Outgoing Relation(s)
rhizathalene A (CHEBI:138656) is a carbotricyclic compound (CHEBI:38032)
rhizathalene A (CHEBI:138656) is a diterpene (CHEBI:35190)
rhizathalene A (CHEBI:138656) is a spiro compound (CHEBI:33599)
IUPAC Name 
(1S,3'S,3a'S,5'R,7a'S)-4,5',7a'-trimethyl-3'-(prop-1-en-2-yl)-1',2',3',3a',5',6',7',7a'-octahydrospiro[cyclohex-3-ene-1,4'-indene]
UniProt Name  Source
rhizathalene AUniProt
Citations