Secondary metabolite:(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane



EOCID002733
Summary

sCentInDB Chemical identifier: EOCID002733

Chemical name: (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

Molecular formula: C10H16O

SMILES: CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C

InChI: InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1

InChIKey: CCEFMUBVSUDRLG-KXUCPTDWSA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Organoheterocyclic compounds

Class: Oxepanes

Subclass:

Synonymous chemical name(s):
cis-limonene oxide, cis-limonen-1,2-epoxide

External chemical identifier(s):
CID:6857487, CHEBI:35669, CHEMSPIDER:5256823, ZINC000002545304, FDASRS:KBX06MQJ5Y, MOLPORT:004-747-807, SURECHEMBL:SCHEMBL2747593

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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