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Concept information

... > organooxygen compound > ether > cyclic ether > epoxide > epoxycarotenoid > epoxycarotenol > (3s,5r,6s)-beta-cryptoxanthin 5,6-epoxide
... > organooxygen compound > oxacycle > cyclic ether > epoxide > epoxycarotenoid > epoxycarotenol > (3s,5r,6s)-beta-cryptoxanthin 5,6-epoxide

Preferred term

(3s,5r,6s)-beta-cryptoxanthin 5,6-epoxide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C40H56O2

has_functional_parent

inchi

  • InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+/t35-,39+,40-/m0/s1

inchikey

  • CMOLUFWHADIFGS-VESOQFFVSA-N

mass

  • 568.873

monoisotopicmass

  • 568.42803

smiles

  • [C@]12([C@](C[C@H](CC1(C)C)O)(C)O2)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(CCCC3(C)C)C)/C)/C)/C)/C

subset

  • 3_STAR

synonym EXACT

  • (3S,5R,6S)-5,6-dihydro-5,6-epoxy-beta,beta-caroten-3-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91143

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