input word = C00023043

Metabolite InformationStructural formula
Name Eschscholtzxanthone
(3'S)-4',5'-Didehydro-3'-hydroxy-4,5'-retro-beta,beta-caroten-3-one
Formula C40H52O2
Mw 564.3967309
CAS RN 3484-59-1
C_ID C00023043 ,
InChIKey GDALYDGIVMUXTI-WCOBPZCANA-N
InChICode InChI=1S/C40H52O2/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/h11-26,35,41H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-/t35-/m1/s1
SMILES C\1(=C\C=C(\C=C\C=C(\C=C\C=C\C(=C\C=C\C(=C\C=C/2\C(=C[C@H](CC2(C)C)O)C)\C)\C)/C)/C)/C(=CC(=O)CC1(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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