Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014186

Phytochemical name: Pisatoside

Synonymous chemical names:
pisatoside, Pisatoside

External chemical identifiers:
CID:CID_12314351

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Chemical structure information

SMILES:
OCC1OC(OC2C=CNC2=O)C(C(C1O)O)O

InChI:
InChI=1S/C10H15NO7/c12-3-5-6(13)7(14)8(15)10(18-5)17-4-1-2-11-9(4)16/h1-2,4-8,10,12-15H,3H2,(H,11,16)

InChIKey:
FHWQHJHJIXDREE-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCC=CNC5=O)))))))CCC6O))O))O

Functional groups:
CO, COC(OC)C, O=C1CC=CN1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC=CC1OC1CCCCO1

Scaffold Graph/Node level:
OC1NCCC1OC1CCCCO1

Scaffold Graph level:
CC1CCCC1CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP-Likeness score: 2.526

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Chemical structure download