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2-cis,4-trans-xanthoxin

Properties

Image

Occurences in reactions

MNX_ID

MNXM726697

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	6

formula

C₁₅H₂₂O₃

charge

mass

250.15689

reference

InChIKey

ZTALKMXOHWQNIA-TVBSHJCBSA-N

InChI

InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1

SMILES

CC(=C/C=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32304 chebi:32304	2-cis,4-trans-xanthoxin (2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methylpenta-2,4-dienal 2-cis,4-trans-Xanthoxin Xanthoxin
metacyc.compound:CPD-7279 metacycM:CPD-7279	2-cis,4-trans-xanthoxin xanthoxin
sabiork.compound:15458 sabiorkM:15458	Xanthoxin
kegg.compound:C13453 keggC:C13453	Xanthoxin 2-cis,4-trans-Xanthoxin
seed.compound:cpd09439 seedM:cpd09439	Xanthoxin 2-cis,4-trans-Xanthoxin 2-cis,4-trans-xanthoxin xanthoxin
keggC:M_C13453 seedM:M_cpd09439	secondary/obsolete/fantasy identifier