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CHEBI:180836 - 1,2-Epoxy-1,2,7,7',8,8',11,12-octahydro-psi,psi-carotene

ChEBI IDCHEBI:180836
ChEBI Name1,2-Epoxy-1,2,7,7',8,8',11,12-octahydro-psi,psi-carotene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H62O
Net Charge0
Average Mass558.935
Monoisotopic Mass558.48007
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\C=C\C=C(C)/C=C\C=C(/C)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,15,18-20,23-26,29,39H,13-14,16-17,21-22,27-28,30-31H2,1-10H3/b12-11+,23-15-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+
InChIKeyURWDEZYCMUWBPQ-YOWDSOSNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
1,2-Epoxy-1,2,7,7',8,8',11,12-octahydro-psi,psi-carotene (CHEBI:180836) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
3-[(3E,7E,9Z,11Z,13E,15Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,19,23,27-nonaenyl]-2,2-dimethyloxirane
Manual XrefsDatabases
35013091ChemSpider
HMDB0029853HMDB