input word = C00022985

Metabolite InformationStructural formula
Name Isotedanin
2,3-Didehydro-3-hydroxy-beta,phi-caroten-4-one
Formula C40H48O2
Mw 560.36543078
CAS RN 74947-03-8
C_ID C00022985 ,
InChIKey WXAIQAVLKICRDD-YRKVFUNNSA-N
InChICode InChI=1S/C40H48O2/c1-28(17-13-19-30(3)21-25-36-33(6)24-23-32(5)34(36)7)15-11-12-16-29(2)18-14-20-31(4)22-26-37-35(8)39(42)38(41)27-40(37,9)10/h11-27,41H,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,28-15+,29-16+,30-19+,31-20+
SMILES C1=C(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(ccc1C)C)C)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas mauritiana Ref.
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