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CHEBI:18298 - 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone

ChEBI IDCHEBI:18298
ChEBI Name3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone
Stars
Secondary ChEBI IDsCHEBI:1534, CHEBI:11803, CHEBI:20035
Last Modified6 February 2018
DownloadsMolfile
FormulaC31H48O3
Net Charge0
Average Mass468.722
Monoisotopic Mass468.36035
SMILESC/C(=C\CC1(O)C(=O)c2ccccc2C(=O)C1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,26?,31?/m1/s1
InChIKeyOOJSROHRRKVBFW-MNBFGQJISA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone (CHEBI:18298) is a phylloquinones (CHEBI:26106)
3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone (CHEBI:18298) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
2-hydroxy-3-methyl-2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydro-1,4-naphthoquinone
Synonyms  Source
3-Hydroxy-vitamin KKEGG COMPOUND
3-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinoneKEGG COMPOUND
UniProt Name  Source
3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinoneUniProt
Manual XrefsDatabases
C02785KEGG COMPOUND