ADFS Entry View

Low Mol Weight Allergen Name	CAS#	CID
Falcarinol	21852-80-2	5281149

Structure

Other Information

Canonical SMILES	CCCCCCCC=CCC#CC#CC(C=C)O
Iso SMILES	CCCCCCC/C=CCC#CC#C[C@@H](C=C)O
InChI	InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
InChI Key	UGJAEDFOKNAMQD-QXPKXGMISA-N
Formula	C17H24O
Mol Weight	244.372
XlogP3	5.5
Charge	0

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Synonyms Information

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