Summary

IMPPAT Phytochemical identifier: IMPHY002520

Phytochemical name: 3,6,6-Trimethylbicyclo[3.1.0]hexane-3-carbaldehyde

Synonymous chemical names:
3,6,6-trimethylbicyclo[3.1.0]hexan-3-carboxaldehyde

External chemical identifiers:
CID:13967479

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Chemical structure information

SMILES:
O=CC1(C)CC2C(C1)C2(C)C

InChI:
InChI=1S/C10H16O/c1-9(2)7-4-10(3,6-11)5-8(7)9/h6-8H,4-5H2,1-3H3

InChIKey:
HODJJSXHJFNBQH-UHFFFAOYSA-N

DeepSMILES:
O=CCC)CCCC5)C3C)C

Functional groups:
CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC2C1

Scaffold Graph/Node level:
C1CC2CC2C1

Scaffold Graph level:
C1CC2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Carane monoterpenoids

NP-Likeness score: 2.169

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Chemical structure download