input word = C00034546

Metabolite InformationStructural formula
Name Ipomoeaxanthin C1
Formula C40H58O3
Mw 586.43859572
CAS RN 946512-62-5
C_ID C00034546 ,
InChIKey ZORQKKBTVVCHRR-OVIGJGIJNA-N
InChICode InChI=1S/C40H58O3/c1-30(19-13-20-32(3)23-28-40(42)37(7,8)25-16-27-39(40,10)41)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)43-34/h11-14,17-23,28-29,34,41-42H,15-16,24-27H2,1-10H3/b12-11+,19-13+,21-14+,28-23+,30-17+,31-18+,32-20+,33-22+/t34-,38-,39-,40+/m1/s1
SMILES CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)CCC[C@@]1(C)O)=CC=CC=C(C)C=CC=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas LAM Ref.
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