input word = C00023002

Metabolite InformationStructural formula
Name 2,3-Dihydroxyechinenone
(2,3-trans)-2,3-Dihydroxy-beta,beta-caroten-4-one
Formula C40H54O3
Mw 582.40729559
CAS RN
C_ID C00023002 ,
InChIKey ATZSDDALXBKOQD-OAFLIELJNA-N
InChICode InChI=1S/C40H54O3/c1-28(18-13-20-30(3)23-25-34-32(5)22-15-27-39(34,7)8)16-11-12-17-29(2)19-14-21-31(4)24-26-35-33(6)36(41)37(42)38(43)40(35,9)10/h11-14,16-21,23-26,37-38,42-43H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,28-16+,29-17+,30-20+,31-21+/t37-,38+/m1/s1
SMILES C1(=C(C(=O)[C@H]([C@@H](C1(C)C)O)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaRhizobiaceaeRhizobium lupini Ref.
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OrganismRhizobium lupini
ReferenceBeyer,Helv. Chim. Acta,62,(1979),2551