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(Z)-alpha-Bergamotenoic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM115546

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₅H₂₂O₂

charge

mass

234.16198

reference

InChIKey

CTORLPNPQPAKGI-VZUCSPMQSA-N

InChI

InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+

SMILES

CC1=CCC2CC1C2(C)CC/C=C(\C)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036392	(Z)-alpha-Bergamotenoic acid (2E)-5-{2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl}-2-methylpent-2-enoate (2E)-5-{2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl}-2-methylpent-2-enoic acid (Z)-a-Bergamotenoate (Z)-a-Bergamotenoic acid (Z)-alpha-Bergamotenoate (Z)-alpha-bergamotenoate (Z)-alpha-bergamotenoic acid
hmdb:HMDB36392	secondary/obsolete/fantasy identifier