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torulene

Properties

Image

Occurences in reactions

MNX_ID

MNXM4117

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₄₀H₅₄

charge

mass

534.42255

reference

chebi:9638

InChIKey

AIBOHNYYKWYQMM-MXBSLTGDSA-N

InChI

InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+

SMILES

CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9638 chebi:9638	torulene (3'E)-3',4'-didehydro-beta,psi-carotene
kegg.compound:C08613 keggC:C08613 lipidmaps:LMPR01070088 lipidmapsM:LMPR01070088	Torulene
seed.compound:cpd05520 seedM:cpd05520	Torulene 3',4'-didehydro-beta,psi-carotene torulene
metacyc.compound:CPD-7953 metacycM:CPD-7953	torulene 3',4'-didehydro-beta,psi-carotene
keggC:M_C08613 seedM:M_cpd05520	secondary/obsolete/fantasy identifier