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CHEBI:211120 - Okadaxanthin

ChEBI IDCHEBI:211120
ChEBI NameOkadaxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H72O2
Net Charge0
Average Mass705.124
Monoisotopic Mass704.55323
SMILESCC1=CC[C@H](C/C(C)=C/CO)C(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H]1C(C)=CC[C@H](C/C(C)=C/CO)C1(C)C
InChIInChI=1S/C50H72O2/c1-37(19-15-21-39(3)23-29-47-43(7)25-27-45(49(47,9)10)35-41(5)31-33-51)17-13-14-18-38(2)20-16-22-40(4)24-30-48-44(8)26-28-46(50(48,11)12)36-42(6)32-34-52/h13-26,29-32,45-48,51-52H,27-28,33-36H2,1-12H3/b14-13+,19-15+,20-16+,29-23+,30-24+,37-17+,38-18+,39-21+,40-22+,41-31+,42-32+/t45-,46-,47-,48-/m1/s1
InChIKeyBHONBYIDLOVJEW-GRNUDOEXSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - DOI (10.1007/bf01952874)
ChEBI Ontology
Outgoing Relation(s)
Okadaxanthin (CHEBI:211120) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(E)-4-[(1R,5R)-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,5R)-5-[(E)-4-hydroxy-2-methylbut-2-enyl]-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,6,6-trimethylcyclohex-3-en-1-yl]-3-methylbut-2-en-1-ol
Manual XrefsDatabases
10474869ChemSpider