input word = C00022952

Metabolite InformationStructural formula
Name (5R,5'R,6S,6'S)-5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene
Formula C40H56O2
Mw 568.42803103
CAS RN 34222-90-7
C_ID C00022952 ,
InChIKey ONQKWANDXQNLEJ-CGYYJCQDNA-N
InChICode InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-26-39-35(5,6)24-15-25-37(39,9)42-39)16-11-12-17-31(2)19-14-21-33(4)23-27-40-36(7,8)28-34(41)29-38(40,10)43-40/h11-14,16-23,26-27,34,41H,15,24-25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-22+,27-23+,30-16+,31-17+,32-20+,33-21+/t34-,37+,38-,39-,40-/m0/s1
SMILES C1[C@@H](C[C@]2([C@@](C1(C)C)(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@]13C(CCC[C@]1(O3)C)(C)C)\C)\C)/C)/C)O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
PlantaeFabaceaePhaseolus vulgaris var. nanus Ref.
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