Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018055

Phytochemical name: Myrtenyl formate

Synonymous chemical names:
Myrtenyl formate

External chemical identifiers:
CID:CID_6429195

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Chemical structure information

SMILES:
O=COCC1=CCC2CC1C2(C)C

InChI:
InChI=1S/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3

InChIKey:
QHPJGDWWLWJMPM-UHFFFAOYSA-N

DeepSMILES:
O=COCC=CCCCC6C4C)C

Functional groups:
COC=O, CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 2.155

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Chemical structure download