Summary

IMPPAT Phytochemical identifier: IMPHY014670

Phytochemical name: Epoxy-linalool oxide

Synonymous chemical names:
epoxy-linalool oxide

External chemical identifiers:
CID:132277303

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Chemical structure information

SMILES:
CC(=CCCC(C12OC2O1)(O)C)C

InChI:
InChI=1S/C10H16O3/c1-7(2)5-4-6-9(3,11)10-8(12-10)13-10/h5,8,11H,4,6H2,1-3H3

InChIKey:
ZVGWOCIJIRIBKL-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCOC3O4))))O)C)))))C

Functional groups:
CC12OC1O2, CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O1C2OC12

Scaffold Graph/Node level:
O1C2OC12

Scaffold Graph level:
C1C2CC12

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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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.287

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Chemical structure download