Summary
IMPPAT Phytochemical identifier: IMPHY014635
Phytochemical name: Caffeoyltartronic acid
Synonymous chemical names:caffeoyltartronic acid
External chemical identifiers:CID:129660911
Chemical structure information
SMILES:
OC(=O)C(C(=O)/C=C/c1ccc(c(c1)O)O)(C(=O)O)OInChI:
InChI=1S/C12H10O8/c13-7-3-1-6(5-8(7)14)2-4-9(15)12(20,10(16)17)11(18)19/h1-5,13-14,20H,(H,16,17)(H,18,19)/b4-2+InChIKey:
YVUYIEJFBANVBK-DUXPYHPUSA-NDeepSMILES:
OC=O)CC=O)/C=C/cccccc6)O))O))))))))C=O)O))OFunctional groups:
CC(=O)O, CO, c/C=C/C(C)=O, cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Cinnamic acids and derivatives
ClassyFire Subclass: Hydroxycinnamic acids and derivatives
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP-Likeness score: 0.728
Chemical structure download
