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CHEBI:176097 - 5',6'-Epoxy-5',6'-dihydro-beta,beta-caroten-3-ol

ChEBI IDCHEBI:176097
ChEBI Name5',6'-Epoxy-5',6'-dihydro-beta,beta-caroten-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O2
Net Charge0
Average Mass568.886
Monoisotopic Mass568.42803
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C23OC2(C)CCCC3(C)C)C(C)(C)CC(O)C1
InChIInChI=1S/C40H56O2/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40-38(8,9)25-15-26-39(40,10)42-40/h11-14,16-24,27,35,41H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+
InChIKeyLLQCIZOXARRMDO-YVLVXPTKSA-N
ChEBI Ontology
Outgoing Relation(s)
5',6'-Epoxy-5',6'-dihydro-beta,beta-caroten-3-ol (CHEBI:176097) is a xanthophyll (CHEBI:27325)
IUPAC Name 
3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
Manual XrefsDatabases
HMDB0036971HMDB
35014331ChemSpider