input word = C00054605

Metabolite InformationStructural formula
Name Acaciabiuronic acid
Formula C12H20O12
Mw 356.09547611
CAS RN 7264-19-9
C_ID C00054605
InChIKey NBTUEARNKVTGKY-VDQQCXGFSA-N
InChICode InChI=1S/C12H20O12/c13-1-3(14)5(16)6(17)4(15)2-23-12-9(20)7(18)8(19)10(24-12)11(21)22/h1,3-10,12,14-20H,2H2,(H,21,22)/t3-,4+,5+,6-,7-,8-,9+,10-,12+/m0/s1
SMILES O[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O)O[C@H](C(O)=O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula spp. Ref.
PlantaeRosaceaePrunus amygdalus Ref.
PlantaeRosaceaePrunus domestica Ref.
PlantaeRosaceaePrunus persica Ref.
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