input word = C00022949

Metabolite InformationStructural formula
Name (3S,5R,8S)-5,8-Epoxy-5,8-dihydro-beta,beta-caroten-3-ol
Formula C40H56O2
Mw 568.42803103
CAS RN 220827-60-1
C_ID C00022949 ,
InChIKey DCWLOCNJVDYFMA-CYSMMROUNA-N
InChICode InChI=1S/C40H56O2/c1-29(18-13-19-31(3)23-24-35-32(4)22-15-25-38(35,6)7)16-11-12-17-30(2)20-14-21-33(5)36-26-37-39(8,9)27-34(41)28-40(37,10)42-36/h11-14,16-21,23-24,26,34,36,41H,15,22,25,27-28H2,1-10H3/b12-11+,18-13+,20-14+,24-23+,29-16+,30-17+,31-19+,33-21+/t34-,36-,40+/m0/s1
SMILES C1[C@@H](C[C@@]2(C(=C[C@@H](/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)O2)C1(C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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