elisabethatriene (CHEBI:52461)

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CHEBI:52461 - elisabethatriene

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ChEBI ID	CHEBI:52461
ChEBI Name	elisabethatriene
Stars
Last Modified	7 September 2017
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C20H32
Net Charge	0
Average Mass	272.476
Monoisotopic Mass	272.25040
SMILES	[H][C@]12CCC(=C)C=C1[C@@]([H])([C@@H](C)CCC=C(C)C)CC[C@@H]2C
InChI	InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-19H,3,6,8-12H2,1-2,4-5H3/t16-,17-,18+,19+/m0/s1
InChIKey	DTMNMDQQDKQKIE-INDMIFKZSA-N

ChEBI Ontology

Outgoing Relation(s)
	elisabethatriene (CHEBI:52461) is a diterpene (CHEBI:35190)
	elisabethatriene (CHEBI:52461) is a octahydronaphthalenes (CHEBI:138397)

IUPAC Name
(1R,4S,4aR)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-7-methylidene-1,2,3,4,4a,5,6,7-octahydronaphthalene

UniProt Name	Source
elisabethatriene	UniProt

Registry Numbers	Sources
Beilstein:8710669	Beilstein