input word = C00060578

Metabolite InformationStructural formula
Name (3R,3'R,6'R,13-cis,13'-cis)-beta,epsilon-Carotene-3,3'-diol
Formula C40H56O2
Mw 568.42803103
CAS RN 189270-58-4
C_ID C00060578
InChIKey KBPHJBAIARWVSC-GUPHUWDZSA-N
InChICode InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15-,30-16-,31-19+,32-20+/t35-,36+,37-/m0/s1
SMILES CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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OrganismAsparagus officinalis
Referencehttps://doi.org/10.1021/jf991243h