input word = C00034547

Metabolite InformationStructural formula
Name Ipomoeaxanthin C2
Formula C40H58O3
Mw 586.43859572
CAS RN 946512-63-6
C_ID C00034547 ,
InChIKey ZORQKKBTVVCHRR-QRCDVNBONA-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-/m0/s1
SMILES C1CCC(C2=C[C@@H](/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]3([C@](CCCC3(C)C)(C)O)O)/C)/C)O[C@]12C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas LAM Ref.
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