input word = C00022988

Metabolite InformationStructural formula
Name Thorexanthin
3-Methoxy-beta,khi-caroten-4-one
Formula C41H52O2
Mw 576.3967309
CAS RN 145038-22-8
C_ID C00022988 ,
InChIKey OOXBHKYLJNCZTD-HUNZDXDFNA-N
InChICode InChI=1S/C41H52O2/c1-29(18-14-20-31(3)22-25-37-26-24-33(5)34(6)35(37)7)16-12-13-17-30(2)19-15-21-32(4)23-27-38-36(8)40(42)39(43-11)28-41(38,9)10/h12-27,39H,28H2,1-11H3/b13-12+,18-14+,19-15+,25-22+,27-23+,29-16+,30-17+,31-20+,32-21+/t39-/m1/s1
SMILES C1[C@H](C(=O)C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/c1c(c(c(cc1)C)C)C)\C)\C)/C)/C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Thorecta horridus Ref.
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