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CHEBI:186759 - 7,8,7',8'-Tetradehydroastaxanthin

ChEBI IDCHEBI:186759
ChEBI Name7,8,7',8'-Tetradehydroastaxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H48O4
Net Charge0
Average Mass592.820
Monoisotopic Mass592.35526
SMILESCC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O
InChIInChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
InChIKeyNNUVZGQKBVLNIO-JKISVVIKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
7,8,7',8'-Tetradehydroastaxanthin (CHEBI:186759) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(6S)-6-hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-2,4,4-trimethylcyclohex-2-en-1-one
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10189510ChemSpider
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