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CHEBI:192915 - Cucurbitaxanthin A

ChEBI IDCHEBI:192915
ChEBI NameCucurbitaxanthin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O3
Net Charge0
Average Mass584.885
Monoisotopic Mass584.42295
SMILES[H][C@@]12CC(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/C3=C(C)C[C@@H](O)CC3(C)C)(O1)[C@](C)(O)C2
InChIInChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1
InChIKeyLMIFPRVTIOZTJN-SZYTUFQFSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Cucurbitaxanthin A (CHEBI:192915) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
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