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CHEBI:176030 - (S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene

ChEBI IDCHEBI:176030
ChEBI Name(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O
Net Charge0
Average Mass552.887
Monoisotopic Mass552.43312
SMILESCC1=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(\C)CCC2OC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+
InChIKeySELMQMFULRQVFS-AACGPBLISA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene (CHEBI:176030) is a xanthophyll (CHEBI:27325)
IUPAC Name 
2,2-dimethyl-3-[(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohexen-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaenyl]oxirane
Manual XrefsDatabases
35013238ChemSpider
HMDB0030607HMDB