Summary

IMPPAT Phytochemical identifier: IMPHY014631

Phytochemical name: d-Gluco-l-glycero-3-octulose

Synonymous chemical names:
d-gluco-l-glycero-3-octulose

External chemical identifiers:
CID:129650461

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Chemical structure information

SMILES:
OC[C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](CO)O)O)O)O)O

InChI:
InChI=1S/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-5,7-13,15-16H,1-2H2/t3-,4-,5-,7+,8+/m1/s1

InChIKey:
CHYFDITTXCBLJE-FIMRYQIOSA-N

DeepSMILES:
OC[C@H][C@H][C@@H][C@H]C=O)[C@@H]CO))O)))O))O))O))O

Functional groups:
CC(C)=O, CO

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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: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 1.656

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Chemical structure download