CHEBI:53168 - picrocrocin

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ChEBI Name picrocrocin ChEBI ID CHEBI:53168 Definition A β-D-glucoside of β-cyclocitral; the precursor of safranal. It is the compound most responsible for the bitter taste of saffron. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H26O7 Net Charge 0 Average Mass 330.37340 Monoisotopic Mass 330.16785 InChI InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1 InChIKey WMHJCSAICLADIN-WYWSWGBSSA-N SMILES CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChEBI Ontology Outgoing picrocrocin (CHEBI:53168) has functional parent β-cyclocitral (CHEBI:53177) picrocrocin (CHEBI:53168) is a β-D-glucoside (CHEBI:22798) IUPAC Name (1R)-4-formyl-3,5,5-trimethylcyclohex-3-en-1-yl β-D-glucopyranoside Synonym Source (R)-4-(beta-D-Glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde ChemIDplus Manual Xref Database C17055 KEGG COMPOUND View more database links Registry Numbers Types Sources 138-55-6 CAS Registry Number KEGG COMPOUND 138-55-6 CAS Registry Number ChemIDplus 37745 Beilstein Registry Number Beilstein Citation Type Source 12509521 PubMed citation Europe PMC Last Modified 28 July 2014