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CHEBI:192223 - Monoanhydroescholtzxanthin

ChEBI IDCHEBI:192223
ChEBI NameMonoanhydroescholtzxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O
Net Charge0
Average Mass548.855
Monoisotopic Mass548.40182
SMILESCC1=CC=CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=C[C@H](O)CC1(C)C
InChIInChI=1S/C40H52O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-28,36,41H,29H2,1-10H3/b16-11+,17-12+,20-13+,21-14+,30-18+,31-19+,32-23+,33-24+,37-25+,38-26+/t36-/m0/s1
InChIKeyMSJNXGZSUAPJJA-HRHORWMMSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Monoanhydroescholtzxanthin (CHEBI:192223) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(1R,4Z)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-ol
Manual XrefsDatabases
LMPR01070026LIPID MAPS
17220871ChemSpider