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CHEBI:176036 - delta-Carotene-1,2-epoxide

ChEBI IDCHEBI:176036
ChEBI Namedelta-Carotene-1,2-epoxide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O
Net Charge0
Average Mass552.887
Monoisotopic Mass552.43312
SMILESCC1=CCCC(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/C=C(/C)CCC1OC1(C)C
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/h11-15,17-26,28,37-38H,16,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17-,32-18+,33-21+,34-23-,35-24-
InChIKeyCGHSLDCVYVQRJG-URLQBFNESA-N
ChEBI Ontology
Outgoing Relation(s)
delta-Carotene-1,2-epoxide (CHEBI:176036) is a xanthophyll (CHEBI:27325)
IUPAC Name 
2,2-dimethyl-3-[(3Z,5E,7E,9E,11Z,13E,15E,17E,19Z,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-2-en-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaenyl]oxirane
Manual XrefsDatabases
35014319ChemSpider
HMDB0036926HMDB