Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone 20554-84-1 5420805
Structure Other Information
Canonical SMILES CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
Iso SMILES C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1
InChI Key KTEXNACQROZXEV-QLIGOWBFSA-N
Formula C15H20O3
Mol Weight 248.318
XlogP3 2.3
Charge 0

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