Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003088

Phytochemical name: Dambonitol

Synonymous chemical names:
Dambonitol, dambonitol

External chemical identifiers:
CID:CID_21627888, ChEBI:CHEBI:173588, ZINC:ZINC000013543714

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Chemical structure information

SMILES:
CO[C@@H]1C(O)[C@H](OC)[C@H](C([C@H]1O)O)O

InChI:
InChI=1S/C8H16O6/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h3-12H,1-2H3/t3?,4-,5+,6?,7+,8-

InChIKey:
MMCIFJWGSIWJLP-XAMPRYAMSA-N

DeepSMILES:
CO[C@@H]CO)[C@H]OC))[C@H]C[C@H]6O))O))O

Functional groups:
COC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Polyols

NP Classifier Class: Cyclitols

NP-Likeness score: 1.579

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Chemical structure download