Neo-laurallene (CHEBI:206659)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Neo-laurallene

ChEBI ID	CHEBI:206659

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20Br2O2

Net Charge

Average Mass

392.131

Monoisotopic Mass

389.98301

InChI

InChI=1S/C15H20Br2O2/c1-2-13-12(17)7-3-4-8-14-15(19-13)10-11(18-14)6-5-9-16/h3-4,6,9,11-15H,2,7-8,10H2,1H3/b4-3-/t5?,11-,12+,13-,14-,15-/m1/s1

InChIKey

MFIOGNKPHIMUQN-YJNXAUKYSA-N

SMILES

BrC=C=C[C@H]1O[C@@H]2CC=CC[C@@H]([C@H](O[C@@H]2C1)CC)Br

ChEBI Ontology
Outgoing	Neo-laurallene (CHEBI:206659) is a oxolanes (CHEBI:26912)