2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE (CHEBI:45135)

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CHEBI:45135 - 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE

Default Structure

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ChEBI ID	CHEBI:45135
ChEBI Name	2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE
Stars
Last Modified	16 May 2008
Downloads	Molfile

Formula	C53H80O2
Net Charge	0
Average Mass	749.221
Monoisotopic Mass	748.61583
SMILES	[H]C1=C(C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=O)C(C([H])([H])[H])=C(C([H])([H])[H])C1=O
InChI	InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23-,42-25-,43-27-,44-29-,45-31-,46-33-,47-35-,48-37-
InChIKey	FKUYMLZIRPABFK-XUXZWIIKSA-N

ChEBI Ontology

Outgoing Relation(s)
	2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE (CHEBI:45135) is a unclassifieds (CHEBI:27189)

Synonyms	Source
2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE	PDBeChem
2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione	PDBeChem

Manual Xrefs	Databases
PL9	PDBeChem