input word = C00023041

Metabolite InformationStructural formula
Name alpha-Cryptoeutreptiellanone
(3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one
Formula C40H54O3
Mw 582.40729559
CAS RN 101508-16-1
C_ID C00023041 ,
InChIKey LXOSCHGJFLZVOK-LYCCNZIQNA-N
InChICode InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-22-35-32(5)25-34(41)26-38(35,7)8)15-11-12-16-29(2)18-14-20-31(4)23-24-40-33(6)37(42)36(43-40)27-39(40,9)10/h11-25,33-36,41H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,28-15+,29-16+,30-19+,31-20+/t33-,34-,35-,36-,40-/m0/s1
SMILES [C@@]12(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]3C(C[C@H](C=C3C)O)(C)C)\C)\C)/C)/C)C(C[C@@H](C(=O)[C@@H]1C)O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Eutreptiella gymnastica Ref.
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