CHEBI:5636 - Helenien

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ChEBI Name Helenien ChEBI ID CHEBI:5636 Stars This entity has been manually annotated by a third party. 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 C72H116O4 Net Charge 0 Average Mass 1045.692 Monoisotopic Mass 1044.88736 InChI InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-55,65-67H,13-38,49-50,56-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66+,67-/m0/s1 InChIKey YHGJHDJZIOYZIR-URPSFYETSA-N SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]2C(C)=C[C@@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C1 ChEBI Ontology Outgoing Helenien (CHEBI:5636) is a xanthophyll (CHEBI:27325) Synonyms Sources Helenien KEGG COMPOUND Xantofyl palmitate KEGG COMPOUND Manual Xrefs Databases C00003774 KNApSAcK C08597 KEGG COMPOUND D01031 KEGG DRUG View more database links Registry Number Type Source 547-17-1 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014