input word = C00022831

Metabolite InformationStructural formula
Name (2R)-beta,beta-Caroten-2-ol
Formula C40H56O
Mw 552.43311641
CAS RN 39668-21-8
C_ID C00022831 ,
InChIKey KOTBWDXNYNTNIY-PELAFRSBNA-N
InChICode InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-26-36-34(5)22-15-29-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-37-35(6)25-28-38(41)40(37,9)10/h11-14,16-21,23-24,26-27,38,41H,15,22,25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-23+,27-24+,30-16+,31-17+,32-20+,33-21+/t38-/m1/s1
SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CC[C@@H](O)C2(C)C)C(C)(C)CCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaLimoniidaeTrentepohlia iolithus Ref.
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OrganismTrentepohlia iolithus
ReferenceKjosen,H.,Acta Chem. Scand.,26,(1972),3053