input word = C00023133

Metabolite InformationStructural formula
Name Aeginetin
(5R,6R)-5,6-Dihydro-5,6-dihydroxy-12'-apo-beta,psi-carotenoic acid
Formula C25H36O4
Mw 400.26135964
CAS RN 64803-86-7
C_ID C00023133 ,
InChIKey YBWOXWSKTIHNHZ-TVNDDULANA-N
InChICode InChI=1S/C25H36O4/c1-19(11-7-8-14-21(3)22(26)27)12-9-13-20(2)15-18-25(29)23(4,5)16-10-17-24(25,6)28/h7-9,11-15,18,28-29H,10,16-17H2,1-6H3,(H,26,27)/b8-7+,12-9+,18-15+,19-11+,20-13+,21-14+/t24-,25-/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(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaeAeginetia indica Ref.
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