Summary

IMPPAT Phytochemical identifier: IMPHY015512

Phytochemical name: Bicyclo[6.1.0]nonane

Synonymous chemical names:
bicyclo [6.1.0] nonane

External chemical identifiers:
CID:136124, SureChEMBL:SCHEMBL475136

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Chemical structure information

SMILES:
C1CCCC2C(CC1)C2

InChI:
InChI=1S/C9H16/c1-2-4-6-9-7-8(9)5-3-1/h8-9H,1-7H2

InChIKey:
FYECUAIUGWFPJF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC8))C3

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC2CC2CC1

Scaffold Graph/Node level:
C1CCCC2CC2CC1

Scaffold Graph level:
C1CCCC2CC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.626

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Chemical structure download