input word = C00009980

Metabolite InformationStructural formula
Name cis-12a-Hydroxyrot-2'-enonic acid
Formula C23H24O7
Mw 412.15220312
CAS RN 82784-44-9
C_ID C00009980 ,
InChIKey GHBZHAWROFXWAR-UHFFFAOYNA-N
InChICode InChI=1S/C23H24O7/c1-12(2)5-6-13-16(24)8-7-14-21(13)30-20-11-29-17-10-19(28-4)18(27-3)9-15(17)23(20,26)22(14)25/h5,7-10,20,24,26H,6,11H2,1-4H3/t20-,23-/m1/s1
SMILES c1(ccc2c(c1CC=C(C)C)O[C@H]1[C@@](C2=O)(c2cc(c(cc2OC1)OC)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia pachycarpa Ref.
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