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CHEBI:192903 - Capsanthin 3,6-epoxide

ChEBI IDCHEBI:192903
ChEBI NameCapsanthin 3,6-epoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O4
Net Charge0
Average Mass600.884
Monoisotopic Mass600.41786
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/C(=O)[C@]3(C)C[C@@H](O)CC3(C)C)(O1)[C@](C)(O)C2
InChIInChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40?/m0/s1
InChIKeyTWTPPPZIWNGQCQ-XDWIPUNCSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Capsanthin 3,6-epoxide (CHEBI:192903) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Manual XrefsDatabases
17220886ChemSpider
LMPR01070050LIPID MAPS